CID 22798271

13380-36-4

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCC[C@@H]1C[C@H](N(C1)C)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-3-4-7-5-8(9(11)12)10(2)6-7/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKey
MAWGMRQFCUEYCT-SFYZADRCSA-N
Compound name
(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

171.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.6
[M+Na]+ 194.115148 146.3
[M-H]- 170.118654 140.2
[M+NH4]+ 189.159753 160.0
[M+K]+ 210.089088 144.9
[M+H-H2O]+ 154.123190 134.0
[M+HCOO]- 216.124131 158.7
[M+CH3COO]- 230.139781 178.4
[M+Na-2H]- 192.100596 140.4
[M]+ 171.12538142 138.2
[M]- 171.12647858 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe