CID 290175

2-aminocyclohex-1-ene-1-carbonitrile

Structural Information

Molecular Formula
C7H10N2
SMILES
C1CCC(=C(C1)C#N)N
InChI
InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4,9H2
InChIKey
PFIVIEDNXASHEY-UHFFFAOYSA-N
Compound name
2-aminocyclohexene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

122.0844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 125.6
[M+Na]+ 145.07362 134.2
[M-H]- 121.07712 128.5
[M+NH4]+ 140.11822 145.4
[M+K]+ 161.04756 131.8
[M+H-H2O]+ 105.08166 114.1
[M+HCOO]- 167.08260 144.9
[M+CH3COO]- 181.09825 185.6
[M+Na-2H]- 143.05907 131.2
[M]+ 122.08385 116.2
[M]- 122.08495 116.2
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