CID 21332271

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

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CCC(N1CC(=O)O)C
InChI
InChI=1S/C8H15NO2/c1-6-3-4-7(2)9(6)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
OASXJQXXBOTLPU-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylpyrrolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.0
[M+Na]+ 180.09950 142.1
[M-H]- 156.10300 135.8
[M+NH4]+ 175.14410 156.0
[M+K]+ 196.07344 141.0
[M+H-H2O]+ 140.10754 129.6
[M+HCOO]- 202.10848 154.4
[M+CH3COO]- 216.12413 175.4
[M+Na-2H]- 178.08495 136.3
[M]+ 157.10973 133.2
[M]- 157.11083 133.2
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