CID 22163512

1-isocyanatocyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CCC(CC1)(C#N)N=C=O
InChI
InChI=1S/C8H10N2O/c9-6-8(10-7-11)4-2-1-3-5-8/h1-5H2
InChIKey
WVODAXIDRUMSPB-UHFFFAOYSA-N
Compound name
1-isocyanatocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

150.07932 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 131.2
[M+Na]+ 173.068538 139.7
[M-H]- 149.072044 135.5
[M+NH4]+ 168.113143 152.2
[M+K]+ 189.042478 137.0
[M+H-H2O]+ 133.076580 119.6
[M+HCOO]- 195.077521 151.4
[M+CH3COO]- 209.093171 189.9
[M+Na-2H]- 171.053986 138.5
[M]+ 150.07877142 123.3
[M]- 150.07986858 123.3
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