CID 20962

Acetonitrile, 2,2'-(cyclohexylimino)di-

Structural Information

Molecular Formula
C10H15N3
SMILES
C1CCC(CC1)N(CC#N)CC#N
InChI
InChI=1S/C10H15N3/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h10H,1-5,8-9H2
InChIKey
STOVQBQVJIJSJJ-UHFFFAOYSA-N
Compound name
2-[cyanomethyl(cyclohexyl)amino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.1266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.13388 149.4
[M+Na]+ 200.11582 156.5
[M-H]- 176.11932 153.1
[M+NH4]+ 195.16042 162.6
[M+K]+ 216.08976 153.7
[M+H-H2O]+ 160.12386 134.2
[M+HCOO]- 222.12480 160.8
[M+CH3COO]- 236.14045 217.5
[M+Na-2H]- 198.10127 151.4
[M]+ 177.12605 139.1
[M]- 177.12715 139.1
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.