CID 21820835

18202-83-0

Structural Information

Molecular Formula
C7H12N4
SMILES
CC(C)NC1=NC=NC=C1N
InChI
InChI=1S/C7H12N4/c1-5(2)11-7-6(8)3-9-4-10-7/h3-5H,8H2,1-2H3,(H,9,10,11)
InChIKey
PWEGFMVXXGYUTH-UHFFFAOYSA-N
Compound name
4-N-propan-2-ylpyrimidine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.1062 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 132.7
[M+Na]+ 175.095418 140.1
[M-H]- 151.098924 133.5
[M+NH4]+ 170.140023 150.6
[M+K]+ 191.069358 138.3
[M+H-H2O]+ 135.103460 125.2
[M+HCOO]- 197.104401 155.8
[M+CH3COO]- 211.120051 181.7
[M+Na-2H]- 173.080866 139.8
[M]+ 152.10565142 130.2
[M]- 152.10674858 130.2
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

patents stripe