CID 853613

1-(2-methyl-allyl)-1h-benzotriazole

Structural Information

Molecular Formula
C10H11N3
SMILES
CC(=C)CN1C2=CC=CC=C2N=N1
InChI
InChI=1S/C10H11N3/c1-8(2)7-13-10-6-4-3-5-9(10)11-12-13/h3-6H,1,7H2,2H3
InChIKey
TWMGOLSYRXAUBL-UHFFFAOYSA-N
Compound name
1-(2-methylprop-2-enyl)benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

173.09529 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 136.4
[M+Na]+ 196.08451 146.9
[M-H]- 172.08801 137.4
[M+NH4]+ 191.12911 155.8
[M+K]+ 212.05845 143.4
[M+H-H2O]+ 156.09255 128.5
[M+HCOO]- 218.09349 158.0
[M+CH3COO]- 232.10914 149.9
[M+Na-2H]- 194.06996 143.6
[M]+ 173.09474 138.3
[M]- 173.09584 138.3
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