CID 9570637

Nitrilacarb

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)(CCC#N)/C=N/OC(=O)NC
InChI
InChI=1S/C9H15N3O2/c1-9(2,5-4-6-10)7-12-14-8(13)11-3/h7H,4-5H2,1-3H3,(H,11,13)/b12-7+
InChIKey
FWISWWONCDDGEX-KPKJPENVSA-N
Compound name
[(E)-(4-cyano-2,2-dimethylbutylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3642
Patents

197.11642 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 146.6
[M+Na]+ 220.10564 153.6
[M-H]- 196.10914 148.3
[M+NH4]+ 215.15024 164.1
[M+K]+ 236.07958 154.3
[M+H-H2O]+ 180.11368 134.3
[M+HCOO]- 242.11462 167.5
[M+CH3COO]- 256.13027 202.4
[M+Na-2H]- 218.09109 151.8
[M]+ 197.11587 143.9
[M]- 197.11697 143.9
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

No patent data available for this compound.