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]+ 151.122966 133.3
[M+Na]+ 173.104908 143.1
[M-H]- 149.108414 136.7
[M+NH4]+ 168.149513 154.2
[M+K]+ 189.078848 139.8
[M+H-H2O]+ 133.112950 122.6
[M+HCOO]- 195.113891 152.1
[M+CH3COO]- 209.129541 191.7
[M+Na-2H]- 171.090356 138.4
[M]+ 150.11514142 125.1
[M]- 150.11623858 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.