CID 145865151

Dainate a

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(=CC/C=C(/C)\[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C
InChI
InChI=1S/C15H23NO4/c1-9(2)5-4-6-10(3)12-8-16-14(15(19)20)11(12)7-13(17)18/h5-6,11-12,14,16H,4,7-8H2,1-3H3,(H,17,18)(H,19,20)/b10-6-/t11-,12+,14-/m0/s1
InChIKey
GSLRBTJVJMDETK-LCZAJGKFSA-N
Compound name
(2S,3S,4S)-3-(carboxymethyl)-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 170.0
[M+Na]+ 304.151938 173.3
[M-H]- 280.155444 167.2
[M+NH4]+ 299.196543 184.0
[M+K]+ 320.125878 169.6
[M+H-H2O]+ 264.159980 164.3
[M+HCOO]- 326.160921 182.2
[M+CH3COO]- 340.176571 194.8
[M+Na-2H]- 302.137386 163.4
[M]+ 281.16217142 165.8
[M]- 281.16326858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.