CID 26248896

1803604-52-5

Structural Information

Molecular Formula
C5H10N4
SMILES
CC1=NC(=NN1)[C@@H](C)N
InChI
InChI=1S/C5H10N4/c1-3(6)5-7-4(2)8-9-5/h3H,6H2,1-2H3,(H,7,8,9)/t3-/m1/s1
InChIKey
RVFCWTOXJWOHRS-GSVOUGTGSA-N
Compound name
(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

126.090546 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 126.4
[M+Na]+ 149.07976 134.9
[M-H]- 125.08327 124.7
[M+NH4]+ 144.12437 145.3
[M+K]+ 165.05370 133.1
[M+H-H2O]+ 109.08781 119.0
[M+HCOO]- 171.08875 147.0
[M+CH3COO]- 185.10440 171.1
[M+Na-2H]- 147.06521 131.1
[M]+ 126.09000 123.2
[M]- 126.09109 123.2
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

No patent data available for this compound.