CID 55290143

4,4-dimethylcyclohex-2-en-1-amine

Structural Information

Molecular Formula
C8H15N
SMILES
CC1(CCC(C=C1)N)C
InChI
InChI=1S/C8H15N/c1-8(2)5-3-7(9)4-6-8/h3,5,7H,4,6,9H2,1-2H3
InChIKey
ZOIFHWVXOKUKEE-UHFFFAOYSA-N
Compound name
4,4-dimethylcyclohex-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

125.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 126.4
[M+Na]+ 148.109668 133.3
[M-H]- 124.113174 129.7
[M+NH4]+ 143.154273 150.4
[M+K]+ 164.083608 132.0
[M+H-H2O]+ 108.117710 122.0
[M+HCOO]- 170.118651 148.9
[M+CH3COO]- 184.134301 173.8
[M+Na-2H]- 146.095116 132.9
[M]+ 125.11990142 122.0
[M]- 125.12099858 122.0
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

patents stripe