CID 61319572

3-{2-[(propan-2-yl)amino]ethyl}-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C7H15N5
SMILES
CC(C)NCCC1=NC(=NN1)N
InChI
InChI=1S/C7H15N5/c1-5(2)9-4-3-6-10-7(8)12-11-6/h5,9H,3-4H2,1-2H3,(H3,8,10,11,12)
InChIKey
WKTMEVWFDVRELE-UHFFFAOYSA-N
Compound name
5-[2-(propan-2-ylamino)ethyl]-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.13275 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.140026 138.4
[M+Na]+ 192.121968 145.2
[M-H]- 168.125474 136.5
[M+NH4]+ 187.166573 155.2
[M+K]+ 208.095908 142.8
[M+H-H2O]+ 152.130010 130.1
[M+HCOO]- 214.130951 159.4
[M+CH3COO]- 228.146601 182.2
[M+Na-2H]- 190.107416 142.6
[M]+ 169.13220142 135.2
[M]- 169.13329858 135.2
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

No patent data available for this compound.