CID 28814646

(trimethylpyrimidin-5-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C8H13N3
SMILES
CC1=C(C(=NC(=N1)C)C)CN
InChI
InChI=1S/C8H13N3/c1-5-8(4-9)6(2)11-7(3)10-5/h4,9H2,1-3H3
InChIKey
BGQDMYHHPFXIPJ-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylpyrimidin-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 133.0
[M+Na]+ 174.10017 143.1
[M-H]- 150.10367 134.4
[M+NH4]+ 169.14477 152.0
[M+K]+ 190.07411 140.6
[M+H-H2O]+ 134.10821 126.3
[M+HCOO]- 196.10915 155.7
[M+CH3COO]- 210.12480 181.2
[M+Na-2H]- 172.08562 139.0
[M]+ 151.11040 133.1
[M]- 151.11150 133.1
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