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]+ 194.10364 139.5
[M+Na]+ 216.08558 151.5
[M-H]- 192.08908 142.9
[M+NH4]+ 211.13018 155.9
[M+K]+ 232.05952 149.8
[M+H-H2O]+ 176.09362 130.9
[M+HCOO]- 238.09456 163.2
[M+CH3COO]- 252.11021 153.5
[M+Na-2H]- 214.07103 143.9
[M]+ 193.09581 143.0
[M]- 193.09691 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