CID 28911120

2445784-37-0

Structural Information

Molecular Formula
C11H14N4O
SMILES
CC1=C(N=NN1C2=CC=C(C=C2)OC)CN
InChI
InChI=1S/C11H14N4O/c1-8-11(7-12)13-14-15(8)9-3-5-10(16-2)6-4-9/h3-6H,7,12H2,1-2H3
InChIKey
QGGNLTHKPPJUFS-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.124036 148.4
[M+Na]+ 241.105978 158.2
[M-H]- 217.109484 151.6
[M+NH4]+ 236.150583 164.6
[M+K]+ 257.079918 154.7
[M+H-H2O]+ 201.114020 139.4
[M+HCOO]- 263.114961 171.3
[M+CH3COO]- 277.130611 190.8
[M+Na-2H]- 239.091426 152.7
[M]+ 218.11621142 149.7
[M]- 218.11730858 149.7
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

No patent data available for this compound.