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]+ 170.14003 138.4
[M+Na]+ 192.12197 145.2
[M-H]- 168.12547 136.5
[M+NH4]+ 187.16657 155.2
[M+K]+ 208.09591 142.8
[M+H-H2O]+ 152.13001 130.1
[M+HCOO]- 214.13095 159.4
[M+CH3COO]- 228.14660 182.2
[M+Na-2H]- 190.10742 142.6
[M]+ 169.13220 135.2
[M]- 169.13330 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.