CID 542390

1-(methoxymethyl)-1h-benzotriazole

Structural Information

Molecular Formula
C8H9N3O
SMILES
COCN1C2=CC=CC=C2N=N1
InChI
InChI=1S/C8H9N3O/c1-12-6-11-8-5-3-2-4-7(8)9-10-11/h2-5H,6H2,1H3
InChIKey
QEIXBXXKTUNWDK-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)benzotriazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

140
Patents

163.07455 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 130.8
[M+Na]+ 186.063768 142.1
[M-H]- 162.067274 132.0
[M+NH4]+ 181.108373 150.6
[M+K]+ 202.037708 139.7
[M+H-H2O]+ 146.071810 123.0
[M+HCOO]- 208.072751 154.1
[M+CH3COO]- 222.088401 145.1
[M+Na-2H]- 184.049216 140.3
[M]+ 163.07400142 134.7
[M]- 163.07509858 134.7
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