CID 19362950

2-(1-methylpyrrolidin-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CN1CCC(C1)CC(=O)O
InChI
InChI=1S/C7H13NO2/c1-8-3-2-6(5-8)4-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
GXZULSXLGWEQFS-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

143.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.1
[M+Na]+ 166.08386 137.7
[M-H]- 142.08736 131.7
[M+NH4]+ 161.12846 152.3
[M+K]+ 182.05780 136.9
[M+H-H2O]+ 126.09190 125.5
[M+HCOO]- 188.09284 150.9
[M+CH3COO]- 202.10849 171.2
[M+Na-2H]- 164.06931 133.6
[M]+ 143.09409 128.6
[M]- 143.09519 128.6
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

patents stripe