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

28
Patents

219.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 151.9
[M+Na]+ 242.15153 155.1
[M-H]- 218.15503 155.9
[M+NH4]+ 237.19613 170.6
[M+K]+ 258.12547 151.6
[M+H-H2O]+ 202.15957 144.9
[M+HCOO]- 264.16051 171.7
[M+CH3COO]- 278.17616 186.9
[M+Na-2H]- 240.13698 157.8
[M]+ 219.16176 145.8
[M]- 219.16286 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