CID 61336969

1-[5-(propan-2-yl)-1h-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H14N4
SMILES
CC(C)C1=NNC(=N1)C(C)N
InChI
InChI=1S/C7H14N4/c1-4(2)6-9-7(5(3)8)11-10-6/h4-5H,8H2,1-3H3,(H,9,10,11)
InChIKey
DRBNIMQCGWBAAI-UHFFFAOYSA-N
Compound name
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.12184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 135.8
[M+Na]+ 177.111058 143.2
[M-H]- 153.114564 134.0
[M+NH4]+ 172.155663 153.6
[M+K]+ 193.084998 141.5
[M+H-H2O]+ 137.119100 128.2
[M+HCOO]- 199.120041 154.8
[M+CH3COO]- 213.135691 178.1
[M+Na-2H]- 175.096506 138.3
[M]+ 154.12129142 132.8
[M]- 154.12238858 132.8
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