CID 53534829

2155856-27-0

Structural Information

Molecular Formula
C5H10N4
SMILES
CC1=NC(=NN1)CNC
InChI
InChI=1S/C5H10N4/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3,(H,7,8,9)
InChIKey
LHMZYMGVGMFPFJ-UHFFFAOYSA-N
Compound name
N-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

126.090546 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 125.4
[M+Na]+ 149.07976 134.2
[M-H]- 125.08327 124.1
[M+NH4]+ 144.12437 144.7
[M+K]+ 165.05370 132.3
[M+H-H2O]+ 109.08781 117.9
[M+HCOO]- 171.08875 147.6
[M+CH3COO]- 185.10440 170.9
[M+Na-2H]- 147.06521 132.4
[M]+ 126.09000 123.9
[M]- 126.09109 123.9
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