CID 76605

3147-76-0

Structural Information

Molecular Formula
C16H17N3O
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C16H17N3O/c1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19/h4-10,20H,1-3H3
InChIKey
WXHVQMGINBSVAY-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)-4-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

16645
Patents

267.13718 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 164.6
[M+Na]+ 290.12640 175.5
[M-H]- 266.12990 168.1
[M+NH4]+ 285.17100 179.7
[M+K]+ 306.10034 169.9
[M+H-H2O]+ 250.13444 156.1
[M+HCOO]- 312.13538 183.3
[M+CH3COO]- 326.15103 176.5
[M+Na-2H]- 288.11185 170.8
[M]+ 267.13663 167.0
[M]- 267.13773 167.0
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

No patent data available for this compound.