CID 3021776

Cyclohexylamine, n-allyl-n-methyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C16H23N
SMILES
CN(CC=C)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H23N/c1-3-14-17(2)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h3-4,6-7,10-11H,1,5,8-9,12-14H2,2H3
InChIKey
OACOKDOAVXIOFK-UHFFFAOYSA-N
Compound name
N-methyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 156.2
[M+Na]+ 252.17226 159.3
[M-H]- 228.17576 162.8
[M+NH4]+ 247.21686 175.8
[M+K]+ 268.14620 156.6
[M+H-H2O]+ 212.18030 148.5
[M+HCOO]- 274.18124 177.3
[M+CH3COO]- 288.19689 196.1
[M+Na-2H]- 250.15771 160.6
[M]+ 229.18249 151.7
[M]- 229.18359 151.7
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

No patent data available for this compound.