CID 11263793

2-amino-2-cyclohexylacetonitrile hydrochloride

Structural Information

Molecular Formula
C8H14N2
SMILES
C1CCC(CC1)C(C#N)N
InChI
InChI=1S/C8H14N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-5,10H2
InChIKey
CBRUYTAKOYULDK-UHFFFAOYSA-N
Compound name
2-amino-2-cyclohexylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

138.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 131.9
[M+Na]+ 161.104908 138.2
[M-H]- 137.108414 134.1
[M+NH4]+ 156.149513 150.6
[M+K]+ 177.078848 135.9
[M+H-H2O]+ 121.112950 120.0
[M+HCOO]- 183.113891 148.7
[M+CH3COO]- 197.129541 188.5
[M+Na-2H]- 159.090356 135.6
[M]+ 138.11514142 120.6
[M]- 138.11623858 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe