CID 56828625

2375269-57-9

Structural Information

Molecular Formula
C5H10N4
SMILES
CNCC1=NC=NN1C
InChI
InChI=1S/C5H10N4/c1-6-3-5-7-4-8-9(5)2/h4,6H,3H2,1-2H3
InChIKey
XFRKAZBZVVTALF-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

126.090546 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 124.6
[M+Na]+ 149.07976 133.8
[M-H]- 125.08327 124.6
[M+NH4]+ 144.12437 144.6
[M+K]+ 165.05370 132.9
[M+H-H2O]+ 109.08781 116.9
[M+HCOO]- 171.08875 148.3
[M+CH3COO]- 185.10440 173.6
[M+Na-2H]- 147.06521 132.1
[M]+ 126.09000 125.0
[M]- 126.09109 125.0
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