CID 17900593

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

Structural Information

Molecular Formula
C4H8N4
SMILES
CC(C1=NC=NN1)N
InChI
InChI=1S/C4H8N4/c1-3(5)4-6-2-7-8-4/h2-3H,5H2,1H3,(H,6,7,8)
InChIKey
IMLWJUNNDJGOPB-UHFFFAOYSA-N
Compound name
1-(1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

112.0749 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 120.8
[M+Na]+ 135.06412 130.5
[M+NH4]+ 130.10872 127.8
[M+K]+ 151.03806 128.4
[M-H]- 111.06762 120.1
[M+Na-2H]- 133.04957 125.8
[M]+ 112.07435 121.5
[M]- 112.07545 121.5
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