CID 21744036

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

Structural Information

Molecular Formula
C4H8N4
SMILES
CN1C=NN=C1CN
InChI
InChI=1S/C4H8N4/c1-8-3-6-7-4(8)2-5/h3H,2,5H2,1H3
InChIKey
GPTOVFBEQFGLMP-UHFFFAOYSA-N
Compound name
(4-methyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

112.0749 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 120.2
[M+Na]+ 135.06412 131.1
[M+NH4]+ 130.10872 127.7
[M+K]+ 151.03806 128.2
[M-H]- 111.06762 120.3
[M+Na-2H]- 133.04957 126.0
[M]+ 112.07435 121.4
[M]- 112.07545 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe