CID 3250344

39968-13-3

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CN(C)C(=O)ON1C2=CC=CC=C2N=N1
InChI
InChI=1S/C9H10N4O2/c1-12(2)9(14)15-13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3
InChIKey
ZGQHOOMVABRSSX-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

206.08037 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 141.6
[M+Na]+ 229.06959 151.6
[M-H]- 205.07309 144.5
[M+NH4]+ 224.11419 159.9
[M+K]+ 245.04353 150.8
[M+H-H2O]+ 189.07763 133.2
[M+HCOO]- 251.07857 165.6
[M+CH3COO]- 265.09422 188.9
[M+Na-2H]- 227.05504 149.3
[M]+ 206.07982 146.4
[M]- 206.08092 146.4
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