CID 18408976

4-methyl-1,4,5,6-tetrahydropyrimidin-2-amine hydrochloride

Structural Information

Molecular Formula
C5H11N3
SMILES
CC1CCN=C(N1)N
InChI
InChI=1S/C5H11N3/c1-4-2-3-7-5(6)8-4/h4H,2-3H2,1H3,(H3,6,7,8)
InChIKey
FXCZIQLITKAYEO-UHFFFAOYSA-N
Compound name
6-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

113.0953 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.10258 124.0
[M+Na]+ 136.08452 130.8
[M-H]- 112.08802 122.9
[M+NH4]+ 131.12912 142.9
[M+K]+ 152.05846 128.8
[M+H-H2O]+ 96.092560 117.4
[M+HCOO]- 158.09350 143.2
[M+CH3COO]- 172.10915 167.9
[M+Na-2H]- 134.06997 130.4
[M]+ 113.09475 117.3
[M]- 113.09585 117.3
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