CID 9576064

Union carbide uc-23619

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC\1(CCC/C1=N\OC(=O)NC)C#N
InChI
InChI=1S/C9H13N3O2/c1-9(6-10)5-3-4-7(9)12-14-8(13)11-2/h3-5H2,1-2H3,(H,11,13)/b12-7+
InChIKey
YFNRHYNDWJXZCS-KPKJPENVSA-N
Compound name
[(E)-(2-cyano-2-methylcyclopentylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 143.3
[M+Na]+ 218.08999 151.8
[M-H]- 194.09349 147.7
[M+NH4]+ 213.13459 164.1
[M+K]+ 234.06393 150.0
[M+H-H2O]+ 178.09803 131.3
[M+HCOO]- 240.09897 165.1
[M+CH3COO]- 254.11462 199.2
[M+Na-2H]- 216.07544 147.6
[M]+ 195.10022 137.7
[M]- 195.10132 137.7
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.