CID 79542015

5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-1h-1,2,3-triazol-4-amine

Structural Information

Molecular Formula
C8H11N5O
SMILES
CC1=CC(=NO1)CN2C(=C(N=N2)N)C
InChI
InChI=1S/C8H11N5O/c1-5-3-7(11-14-5)4-13-6(2)8(9)10-12-13/h3H,4,9H2,1-2H3
InChIKey
LKTAGJIQDWKRDB-UHFFFAOYSA-N
Compound name
5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.09636 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.103636 139.5
[M+Na]+ 216.085578 151.5
[M-H]- 192.089084 142.9
[M+NH4]+ 211.130183 155.9
[M+K]+ 232.059518 149.8
[M+H-H2O]+ 176.093620 130.9
[M+HCOO]- 238.094561 163.2
[M+CH3COO]- 252.110211 153.5
[M+Na-2H]- 214.071026 143.9
[M]+ 193.09581142 143.0
[M]- 193.09690858 143.0
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