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]+ 230.19032 155.2
[M+Na]+ 252.17226 157.7
[M-H]- 228.17576 157.9
[M+NH4]+ 247.21686 171.4
[M+K]+ 268.14620 152.4
[M+H-H2O]+ 212.18030 146.7
[M+HCOO]- 274.18124 168.6
[M+CH3COO]- 288.19689 164.3
[M+Na-2H]- 250.15771 159.0
[M]+ 229.18249 145.4
[M]- 229.18359 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.