CID 21163863

2-aminocyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C7H12N2
SMILES
C1CCC(C(C1)C#N)N
InChI
InChI=1S/C7H12N2/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-4,9H2
InChIKey
RVGOKHBYNZPVGI-UHFFFAOYSA-N
Compound name
2-aminocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

124.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 130.3
[M+Na]+ 147.08927 140.0
[M+NH4]+ 142.13387 135.9
[M+K]+ 163.06321 131.1
[M-H]- 123.09277 125.7
[M+Na-2H]- 145.07472 133.0
[M]+ 124.09950 129.3
[M]- 124.10060 129.3
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

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