CID 113420211

4-(cyclohexylmethyl)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C16H23N
SMILES
C1CCC(CC1)CC2CNCC3=CC=CC=C23
InChI
InChI=1S/C16H23N/c1-2-6-13(7-3-1)10-15-12-17-11-14-8-4-5-9-16(14)15/h4-5,8-9,13,15,17H,1-3,6-7,10-12H2
InChIKey
YVGDFXVCHOXZPB-UHFFFAOYSA-N
Compound name
4-(cyclohexylmethyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 155.2
[M+Na]+ 252.172258 157.7
[M-H]- 228.175764 157.9
[M+NH4]+ 247.216863 171.4
[M+K]+ 268.146198 152.4
[M+H-H2O]+ 212.180300 146.7
[M+HCOO]- 274.181241 168.6
[M+CH3COO]- 288.196891 164.3
[M+Na-2H]- 250.157706 159.0
[M]+ 229.18249142 145.4
[M]- 229.18358858 145.4
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.