CID 54596083

Ethyl 3-methylpyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(=O)C1(CCNC1)C
InChI
InChI=1S/C8H15NO2/c1-3-11-7(10)8(2)4-5-9-6-8/h9H,3-6H2,1-2H3
InChIKey
QHUUMIBNWDSADG-UHFFFAOYSA-N
Compound name
ethyl 3-methylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

157.11028 Da
Monoisotopic Mass

0.5
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 158.1
[M+K]+ 196.073438 141.0
[M+H-H2O]+ 140.107540 130.6
[M+HCOO]- 202.108481 155.2
[M+CH3COO]- 216.124131 172.0
[M+Na-2H]- 178.084946 139.5
[M]+ 157.10973142 133.4
[M]- 157.11082858 133.4
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