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]+ 158.11756 135.7
[M+Na]+ 180.09950 141.9
[M-H]- 156.10300 136.1
[M+NH4]+ 175.14410 158.1
[M+K]+ 196.07344 141.0
[M+H-H2O]+ 140.10754 130.6
[M+HCOO]- 202.10848 155.2
[M+CH3COO]- 216.12413 172.0
[M+Na-2H]- 178.08495 139.5
[M]+ 157.10973 133.4
[M]- 157.11083 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