CID 22311931

2-methyl-2-(pyrrolidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)(C(=O)O)N1CCCC1
InChI
InChI=1S/C8H15NO2/c1-8(2,7(10)11)9-5-3-4-6-9/h3-6H2,1-2H3,(H,10,11)
InChIKey
KBRCMVKZAFOGMG-UHFFFAOYSA-N
Compound name
2-methyl-2-pyrrolidin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

157.11028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.0
[M+Na]+ 180.09950 141.7
[M-H]- 156.10300 136.4
[M+NH4]+ 175.14410 156.5
[M+K]+ 196.07344 141.1
[M+H-H2O]+ 140.10754 130.8
[M+HCOO]- 202.10848 154.0
[M+CH3COO]- 216.12413 173.4
[M+Na-2H]- 178.08495 139.5
[M]+ 157.10973 133.1
[M]- 157.11083 133.1
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