CID 82502373

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

Structural Information

Molecular Formula
C4H8N4
SMILES
CC1=NNN=C1CN
InChI
InChI=1S/C4H8N4/c1-3-4(2-5)7-8-6-3/h2,5H2,1H3,(H,6,7,8)
InChIKey
AIYYCTFJYZYMFZ-UHFFFAOYSA-N
Compound name
(5-methyl-2H-triazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

112.0749 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 121.2
[M+Na]+ 135.06412 130.4
[M-H]- 111.06762 119.5
[M+NH4]+ 130.10872 140.8
[M+K]+ 151.03806 128.4
[M+H-H2O]+ 95.072160 113.9
[M+HCOO]- 157.07310 143.1
[M+CH3COO]- 171.08875 167.2
[M+Na-2H]- 133.04957 127.7
[M]+ 112.07435 118.3
[M]- 112.07545 118.3
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