CID 576740

1h-benzotriazole-1-carboxaldehyde

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CC=C2C(=C1)N=NN2C=O
InChI
InChI=1S/C7H5N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-5H
InChIKey
DVEIDGKSJOJJJU-UHFFFAOYSA-N
Compound name
benzotriazole-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

533
Patents

147.04326 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 126.1
[M+Na]+ 170.03248 140.7
[M+NH4]+ 165.07708 134.4
[M+K]+ 186.00642 136.0
[M-H]- 146.03598 126.7
[M+Na-2H]- 168.01793 133.8
[M]+ 147.04271 128.3
[M]- 147.04381 128.3
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