CID 21252719

N-cyclohexylpyrimidin-2-amine

Structural Information

Molecular Formula
C10H15N3
SMILES
C1CCC(CC1)NC2=NC=CC=N2
InChI
InChI=1S/C10H15N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h4,7-9H,1-3,5-6H2,(H,11,12,13)
InChIKey
KJCZIGIPLGGJRT-UHFFFAOYSA-N
Compound name
N-cyclohexylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

177.1266 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.13388 138.7
[M+Na]+ 200.11582 143.0
[M-H]- 176.11932 141.4
[M+NH4]+ 195.16042 155.0
[M+K]+ 216.08976 140.3
[M+H-H2O]+ 160.12386 129.6
[M+HCOO]- 222.12480 158.4
[M+CH3COO]- 236.14045 149.9
[M+Na-2H]- 198.10127 146.4
[M]+ 177.12605 132.3
[M]- 177.12715 132.3
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