CID 45791271

2-(4-methyl-1h-1,2,3-triazol-1-yl)ethanamine

Structural Information

Molecular Formula
C5H10N4
SMILES
CC1=CN(N=N1)CCN
InChI
InChI=1S/C5H10N4/c1-5-4-9(3-2-6)8-7-5/h4H,2-3,6H2,1H3
InChIKey
SJWJIKMZQXUVSC-UHFFFAOYSA-N
Compound name
2-(4-methyltriazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

126.090546 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.097822 124.9
[M+Na]+ 149.079764 134.1
[M-H]- 125.083270 124.4
[M+NH4]+ 144.124369 144.6
[M+K]+ 165.053704 132.8
[M+H-H2O]+ 109.087806 117.2
[M+HCOO]- 171.088747 148.0
[M+CH3COO]- 185.104397 172.9
[M+Na-2H]- 147.065212 131.4
[M]+ 126.08999742 124.2
[M]- 126.09109458 124.2
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

patents stripe