CID 61277334

(5-ethyl-1h-1,2,4-triazol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C5H10N4
SMILES
CCC1=NNC(=N1)CN
InChI
InChI=1S/C5H10N4/c1-2-4-7-5(3-6)9-8-4/h2-3,6H2,1H3,(H,7,8,9)
InChIKey
DSCMUEBXUWVBIT-UHFFFAOYSA-N
Compound name
(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.090546 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.097822 125.7
[M+Na]+ 149.079764 134.5
[M-H]- 125.083270 123.8
[M+NH4]+ 144.124369 144.7
[M+K]+ 165.053704 132.2
[M+H-H2O]+ 109.087806 118.2
[M+HCOO]- 171.088747 147.3
[M+CH3COO]- 185.104397 170.3
[M+Na-2H]- 147.065212 131.6
[M]+ 126.08999742 123.1
[M]- 126.09109458 123.1
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.