CID 419605

29833-90-7

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC2=C(NC(=C2C=C1)O)N=O
InChI
InChI=1S/C8H6N2O2/c11-8-6-4-2-1-3-5(6)7(9-8)10-12/h1-4,9,11H
InChIKey
UREPLAUQAJANGR-UHFFFAOYSA-N
Compound name
3-nitroso-2H-isoindol-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

162.04292 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 127.3
[M+Na]+ 185.03214 138.3
[M-H]- 161.03564 130.5
[M+NH4]+ 180.07674 149.0
[M+K]+ 201.00608 135.2
[M+H-H2O]+ 145.04018 121.5
[M+HCOO]- 207.04112 153.2
[M+CH3COO]- 221.05677 175.8
[M+Na-2H]- 183.01759 136.4
[M]+ 162.04237 128.8
[M]- 162.04347 128.8
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.