CID 11040931

96232-90-5

Structural Information

Molecular Formula
C7H12N2O2
SMILES
COC(=O)NCCCCC#N
InChI
InChI=1S/C7H12N2O2/c1-11-7(10)9-6-4-2-3-5-8/h2-4,6H2,1H3,(H,9,10)
InChIKey
CGWUSLSXMSPPJK-UHFFFAOYSA-N
Compound name
methyl N-(4-cyanobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 135.4
[M+Na]+ 179.07909 143.8
[M+NH4]+ 174.12369 138.9
[M+K]+ 195.05303 136.0
[M-H]- 155.08259 127.6
[M+Na-2H]- 177.06454 136.2
[M]+ 156.08932 133.2
[M]- 156.09042 133.2
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