CID 45792273

2-(2,5-dimethylpyrrolidin-1-yl)propanoic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1CCC(N1C(C)C(=O)O)C
InChI
InChI=1S/C9H17NO2/c1-6-4-5-7(2)10(6)8(3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKey
GQOWMXZFHLFMGN-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylpyrrolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.6
[M+Na]+ 194.11515 146.0
[M-H]- 170.11865 140.4
[M+NH4]+ 189.15975 160.0
[M+K]+ 210.08909 145.2
[M+H-H2O]+ 154.12319 134.2
[M+HCOO]- 216.12413 157.8
[M+CH3COO]- 230.13978 179.3
[M+Na-2H]- 192.10060 139.2
[M]+ 171.12538 137.6
[M]- 171.12648 137.6
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.