CID 271258

3-amino-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC(=C(C=C1C#N)N)O
InChI
InChI=1S/C7H6N2O/c8-4-5-1-2-7(10)6(9)3-5/h1-3,10H,9H2
InChIKey
ZEWCASRNRWXXSO-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

134.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 128.4
[M+Na]+ 157.03724 139.1
[M-H]- 133.04074 130.8
[M+NH4]+ 152.08184 147.3
[M+K]+ 173.01118 136.2
[M+H-H2O]+ 117.04528 117.0
[M+HCOO]- 179.04622 149.0
[M+CH3COO]- 193.06187 185.5
[M+Na-2H]- 155.02269 134.3
[M]+ 134.04747 121.3
[M]- 134.04857 121.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe