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

14
Patents

206.08037 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.087646 141.6
[M+Na]+ 229.069588 151.6
[M-H]- 205.073094 144.5
[M+NH4]+ 224.114193 159.9
[M+K]+ 245.043528 150.8
[M+H-H2O]+ 189.077630 133.2
[M+HCOO]- 251.078571 165.6
[M+CH3COO]- 265.094221 188.9
[M+Na-2H]- 227.055036 149.3
[M]+ 206.07982142 146.4
[M]- 206.08091858 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