CID 45079078

15595-72-9

Structural Information

Molecular Formula
C9H14N2
SMILES
CC1(CCCC(=C1N)C#N)C
InChI
InChI=1S/C9H14N2/c1-9(2)5-3-4-7(6-10)8(9)11/h3-5,11H2,1-2H3
InChIKey
FHLGKVQKOGFUND-UHFFFAOYSA-N
Compound name
2-amino-3,3-dimethylcyclohexene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.11569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 133.3
[M+Na]+ 173.10491 143.1
[M-H]- 149.10841 136.7
[M+NH4]+ 168.14951 154.2
[M+K]+ 189.07885 139.8
[M+H-H2O]+ 133.11295 122.6
[M+HCOO]- 195.11389 152.1
[M+CH3COO]- 209.12954 191.7
[M+Na-2H]- 171.09036 138.4
[M]+ 150.11514 125.1
[M]- 150.11624 125.1
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.