CID 12199

Ethyl propylcarbamate

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCCNC(=O)OCC
InChI
InChI=1S/C6H13NO2/c1-3-5-7-6(8)9-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKey
GTOKAWYXANYGFG-UHFFFAOYSA-N
Compound name
ethyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

131.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.4
[M+Na]+ 154.08386 134.9
[M-H]- 130.08736 128.7
[M+NH4]+ 149.12846 150.3
[M+K]+ 170.05780 135.5
[M+H-H2O]+ 114.09190 123.4
[M+HCOO]- 176.09284 152.9
[M+CH3COO]- 190.10849 174.5
[M+Na-2H]- 152.06931 134.4
[M]+ 131.09409 130.2
[M]- 131.09519 130.2
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