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]+ 153.11348 132.7
[M+Na]+ 175.09542 140.1
[M-H]- 151.09892 133.5
[M+NH4]+ 170.14002 150.6
[M+K]+ 191.06936 138.3
[M+H-H2O]+ 135.10346 125.2
[M+HCOO]- 197.10440 155.8
[M+CH3COO]- 211.12005 181.7
[M+Na-2H]- 173.08087 139.8
[M]+ 152.10565 130.2
[M]- 152.10675 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