CID 50986549

2344680-74-4

Structural Information

Molecular Formula
C7H14N4
SMILES
CC(C)C1=NNC(=N1)CCN
InChI
InChI=1S/C7H14N4/c1-5(2)7-9-6(3-4-8)10-11-7/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKey
GSFXHRLTEGWUDC-UHFFFAOYSA-N
Compound name
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 135.3
[M+Na]+ 177.111058 143.0
[M-H]- 153.114564 133.3
[M+NH4]+ 172.155663 153.1
[M+K]+ 193.084998 140.7
[M+H-H2O]+ 137.119100 127.6
[M+HCOO]- 199.120041 155.3
[M+CH3COO]- 213.135691 177.2
[M+Na-2H]- 175.096506 139.0
[M]+ 154.12129142 132.9
[M]- 154.12238858 132.9
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.