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]+ 219.12404 148.4
[M+Na]+ 241.10598 158.2
[M-H]- 217.10948 151.6
[M+NH4]+ 236.15058 164.6
[M+K]+ 257.07992 154.7
[M+H-H2O]+ 201.11402 139.4
[M+HCOO]- 263.11496 171.3
[M+CH3COO]- 277.13061 190.8
[M+Na-2H]- 239.09143 152.7
[M]+ 218.11621 149.7
[M]- 218.11731 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.