CID 60912203

1-(propan-2-yl)-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C5H10N4
SMILES
CC(C)N1C=NC(=N1)N
InChI
InChI=1S/C5H10N4/c1-4(2)9-3-7-5(6)8-9/h3-4H,1-2H3,(H2,6,8)
InChIKey
MYXSAVAFEFCDKG-UHFFFAOYSA-N
Compound name
1-propan-2-yl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

126.090546 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.097822 125.5
[M+Na]+ 149.079764 134.5
[M-H]- 125.083270 125.2
[M+NH4]+ 144.124369 145.2
[M+K]+ 165.053704 133.6
[M+H-H2O]+ 109.087806 117.9
[M+HCOO]- 171.088747 147.6
[M+CH3COO]- 185.104397 173.7
[M+Na-2H]- 147.065212 130.8
[M]+ 126.08999742 124.3
[M]- 126.09109458 124.3
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