CID 22561972

2-(1h-1,2,3-triazol-1-yl)ethanamine

Structural Information

Molecular Formula
C4H8N4
SMILES
C1=CN(N=N1)CCN
InChI
InChI=1S/C4H8N4/c5-1-3-8-4-2-6-7-8/h2,4H,1,3,5H2
InChIKey
CHEYEJGXQSHSFE-UHFFFAOYSA-N
Compound name
2-(triazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

112.0749 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 120.1
[M+Na]+ 135.06412 128.7
[M-H]- 111.06762 119.3
[M+NH4]+ 130.10872 140.0
[M+K]+ 151.03806 127.7
[M+H-H2O]+ 95.072160 112.2
[M+HCOO]- 157.07310 143.4
[M+CH3COO]- 171.08875 168.8
[M+Na-2H]- 133.04957 127.8
[M]+ 112.07435 118.6
[M]- 112.07545 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe