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]+ 172.13321 140.6
[M+Na]+ 194.11515 146.0
[M-H]- 170.11865 140.9
[M+NH4]+ 189.15975 160.6
[M+K]+ 210.08909 145.2
[M+H-H2O]+ 154.12319 134.7
[M+HCOO]- 216.12413 158.7
[M+CH3COO]- 230.13978 178.1
[M+Na-2H]- 192.10060 140.7
[M]+ 171.12538 138.1
[M]- 171.12648 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