CID 21635377

[1-(benzylamino)cyclohexyl]methanol

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCC(CC1)(CO)NCC2=CC=CC=C2
InChI
InChI=1S/C14H21NO/c16-12-14(9-5-2-6-10-14)15-11-13-7-3-1-4-8-13/h1,3-4,7-8,15-16H,2,5-6,9-12H2
InChIKey
QIIPTPUBRRSXGJ-UHFFFAOYSA-N
Compound name
[1-(benzylamino)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

219.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 151.9
[M+Na]+ 242.151528 155.1
[M-H]- 218.155034 155.9
[M+NH4]+ 237.196133 170.6
[M+K]+ 258.125468 151.6
[M+H-H2O]+ 202.159570 144.9
[M+HCOO]- 264.160511 171.7
[M+CH3COO]- 278.176161 186.9
[M+Na-2H]- 240.136976 157.8
[M]+ 219.16176142 145.8
[M]- 219.16285858 145.8
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