CID 3053675

70292-10-3

Structural Information

Molecular Formula
C14H11N3O2
SMILES
CC1=C(N=NN1C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C14H11N3O2/c1-9-13(14(18)19)15-16-17(9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,18,19)
InChIKey
XKCDKNITHGLQBZ-UHFFFAOYSA-N
Compound name
5-methyl-1-naphthalen-1-yltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

253.08513 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09241 155.6
[M+Na]+ 276.07435 171.0
[M+NH4]+ 271.11895 162.9
[M+K]+ 292.04829 166.4
[M-H]- 252.07785 157.8
[M+Na-2H]- 274.05980 163.6
[M]+ 253.08458 158.4
[M]- 253.08568 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe