CID 204463

N-benzylcyclohexanamine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCC(CC1)NCC2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey
IYWYMFZAZUYNLC-UHFFFAOYSA-N
Compound name
N-benzylcyclohexanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

453
Patents

189.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 143.1
[M+Na]+ 212.14097 146.1
[M-H]- 188.14447 148.3
[M+NH4]+ 207.18557 161.7
[M+K]+ 228.11491 143.0
[M+H-H2O]+ 172.14901 135.7
[M+HCOO]- 234.14995 164.5
[M+CH3COO]- 248.16560 184.9
[M+Na-2H]- 210.12642 149.1
[M]+ 189.15120 136.7
[M]- 189.15230 136.7
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

patents stripe