CID 3426511

26179-83-9

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC(C)(C)C(=O)N1C2=CC=CC=C2N=N1
InChI
InChI=1S/C11H13N3O/c1-11(2,3)10(15)14-9-7-5-4-6-8(9)12-13-14/h4-7H,1-3H3
InChIKey
MQALRDFLWYVZQE-UHFFFAOYSA-N
Compound name
1-(benzotriazol-1-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

203.10587 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 146.0
[M+Na]+ 226.095088 156.6
[M-H]- 202.098594 147.4
[M+NH4]+ 221.139693 164.4
[M+K]+ 242.069028 153.8
[M+H-H2O]+ 186.103130 138.7
[M+HCOO]- 248.104071 165.9
[M+CH3COO]- 262.119721 184.8
[M+Na-2H]- 224.080536 153.4
[M]+ 203.10532142 149.0
[M]- 203.10641858 149.0
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