CID 54593473

2-cyclohexyl-1-(pyrimidin-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H19N3
SMILES
C1CCC(CC1)CC(C2=NC=CC=N2)N
InChI
InChI=1S/C12H19N3/c13-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKey
QMDNROCGZJLYHP-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-pyrimidin-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 148.5
[M+Na]+ 228.14712 151.7
[M-H]- 204.15062 150.5
[M+NH4]+ 223.19172 163.4
[M+K]+ 244.12106 148.6
[M+H-H2O]+ 188.15516 139.3
[M+HCOO]- 250.15610 166.0
[M+CH3COO]- 264.17175 187.4
[M+Na-2H]- 226.13257 153.0
[M]+ 205.15735 141.2
[M]- 205.15845 141.2
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.