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]+ 282.17000 170.1
[M+Na]+ 304.15194 174.6
[M+NH4]+ 299.19654 173.0
[M+K]+ 320.12588 174.5
[M-H]- 280.15544 165.6
[M+Na-2H]- 302.13739 167.1
[M]+ 281.16217 168.5
[M]- 281.16327 168.5
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.