CID 22067847

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

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN1CCCC1CCC(=O)O
InChI
InChI=1S/C8H15NO2/c1-9-6-2-3-7(9)4-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
DYVLIAKTPXNRIO-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrolidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

157.11028 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.7
[M+Na]+ 180.099498 141.9
[M-H]- 156.103004 136.1
[M+NH4]+ 175.144103 156.4
[M+K]+ 196.073438 140.8
[M+H-H2O]+ 140.107540 130.0
[M+HCOO]- 202.108481 155.2
[M+CH3COO]- 216.124131 174.2
[M+Na-2H]- 178.084946 137.7
[M]+ 157.10973142 133.6
[M]- 157.11082858 133.6
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