CID 83524243

1523490-81-4

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1=CC2=C(C=C1O)N=NN2CCCO
InChI
InChI=1S/C9H11N3O2/c13-5-1-4-12-9-3-2-7(14)6-8(9)10-11-12/h2-3,6,13-14H,1,4-5H2
InChIKey
YXMATVXZWNTRPA-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)benzotriazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 139.7
[M+Na]+ 216.07435 150.5
[M-H]- 192.07785 138.4
[M+NH4]+ 211.11895 157.2
[M+K]+ 232.04829 146.6
[M+H-H2O]+ 176.08239 132.4
[M+HCOO]- 238.08333 159.8
[M+CH3COO]- 252.09898 177.9
[M+Na-2H]- 214.05980 147.0
[M]+ 193.08458 142.1
[M]- 193.08568 142.1
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

No patent data available for this compound.