CID 84663

Diallylcyclohexylamine

Structural Information

Molecular Formula
C12H21N
SMILES
C=CCN(CC=C)C1CCCCC1
InChI
InChI=1S/C12H21N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2
InChIKey
OQPJPTHRWIALLQ-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-enyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

594
Patents

179.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 144.5
[M+Na]+ 202.15662 147.3
[M-H]- 178.16012 147.8
[M+NH4]+ 197.20122 164.4
[M+K]+ 218.13056 145.5
[M+H-H2O]+ 162.16466 137.9
[M+HCOO]- 224.16560 165.5
[M+CH3COO]- 238.18125 188.2
[M+Na-2H]- 200.14207 147.5
[M]+ 179.16685 140.2
[M]- 179.16795 140.2
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