CID 16228533

1-(2-methylpropyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)CN1CCCC1C(=O)O
InChI
InChI=1S/C9H17NO2/c1-7(2)6-10-5-3-4-8(10)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKey
FVHTZNQHKOBGHA-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 140.6
[M+Na]+ 194.115148 146.0
[M-H]- 170.118654 140.9
[M+NH4]+ 189.159753 160.6
[M+K]+ 210.089088 145.2
[M+H-H2O]+ 154.123190 134.7
[M+HCOO]- 216.124131 158.7
[M+CH3COO]- 230.139781 178.1
[M+Na-2H]- 192.100596 140.7
[M]+ 171.12538142 138.1
[M]- 171.12647858 138.1
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

patents stripe