CID 45092657

82020-89-1

Structural Information

Molecular Formula
C7H12N4
SMILES
CC1=NC(=NC(=N1)N)C(C)C
InChI
InChI=1S/C7H12N4/c1-4(2)6-9-5(3)10-7(8)11-6/h4H,1-3H3,(H2,8,9,10,11)
InChIKey
FSXYDLJFFPKKKD-UHFFFAOYSA-N
Compound name
4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

152.1062 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 133.9
[M+Na]+ 175.09542 143.2
[M-H]- 151.09892 133.7
[M+NH4]+ 170.14002 151.1
[M+K]+ 191.06936 141.2
[M+H-H2O]+ 135.10346 126.3
[M+HCOO]- 197.10440 154.6
[M+CH3COO]- 211.12005 180.8
[M+Na-2H]- 173.08087 139.9
[M]+ 152.10565 133.1
[M]- 152.10675 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