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]+ 158.11756 135.7
[M+Na]+ 180.09950 141.9
[M-H]- 156.10300 136.1
[M+NH4]+ 175.14410 156.4
[M+K]+ 196.07344 140.8
[M+H-H2O]+ 140.10754 130.0
[M+HCOO]- 202.10848 155.2
[M+CH3COO]- 216.12413 174.2
[M+Na-2H]- 178.08495 137.7
[M]+ 157.10973 133.6
[M]- 157.11083 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