CID 79230

1-pyrrolidinecarboxylic acid isopropyl ester

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)OC(=O)N1CCCC1
InChI
InChI=1S/C8H15NO2/c1-7(2)11-8(10)9-5-3-4-6-9/h7H,3-6H2,1-2H3
InChIKey
XQEPLYLEYBCDLB-UHFFFAOYSA-N
Compound name
propan-2-yl pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

157.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.4
[M+Na]+ 180.09950 141.9
[M-H]- 156.10300 138.0
[M+NH4]+ 175.14410 157.5
[M+K]+ 196.07344 142.3
[M+H-H2O]+ 140.10754 130.2
[M+HCOO]- 202.10848 156.4
[M+CH3COO]- 216.12413 175.3
[M+Na-2H]- 178.08495 138.2
[M]+ 157.10973 135.0
[M]- 157.11083 135.0
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