CID 103975925

3-(methoxymethyl)pyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COCC1(CCNC1)C(=O)O
InChI
InChI=1S/C7H13NO3/c1-11-5-7(6(9)10)2-3-8-4-7/h8H,2-5H2,1H3,(H,9,10)
InChIKey
UUNNQLNQGNNXKE-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

159.08954 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 134.5
[M+Na]+ 182.078758 140.5
[M-H]- 158.082264 133.7
[M+NH4]+ 177.123363 156.0
[M+K]+ 198.052698 139.5
[M+H-H2O]+ 142.086800 129.7
[M+HCOO]- 204.087741 153.1
[M+CH3COO]- 218.103391 169.1
[M+Na-2H]- 180.064206 138.5
[M]+ 159.08899142 131.5
[M]- 159.09008858 131.5
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