CID 69350181

1-aminocyclohexa-3,5-diene-1,2-diol

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1=CC(C(C=C1)(N)O)O
InChI
InChI=1S/C6H9NO2/c7-6(9)4-2-1-3-5(6)8/h1-5,8-9H,7H2
InChIKey
PWWIBLJDJCLRSC-UHFFFAOYSA-N
Compound name
1-aminocyclohexa-3,5-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

127.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 122.9
[M+Na]+ 150.05255 133.5
[M+NH4]+ 145.09715 132.5
[M+K]+ 166.02649 127.2
[M-H]- 126.05605 124.3
[M+Na-2H]- 148.03800 130.1
[M]+ 127.06278 124.7
[M]- 127.06388 124.7
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