CID 14959565

Methyl 3-methylpyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1CCNC1C(=O)OC
InChI
InChI=1S/C7H13NO2/c1-5-3-4-8-6(5)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKey
OBTGJTFLRUWIMG-UHFFFAOYSA-N
Compound name
methyl 3-methylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

143.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.4
[M+Na]+ 166.083858 138.0
[M-H]- 142.087364 132.0
[M+NH4]+ 161.128463 152.7
[M+K]+ 182.057798 137.2
[M+H-H2O]+ 126.091900 125.8
[M+HCOO]- 188.092841 151.2
[M+CH3COO]- 202.108491 170.5
[M+Na-2H]- 164.069306 133.8
[M]+ 143.09409142 128.8
[M]- 143.09518858 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe