CID 19762736

Schembl1637783

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1(C=CC=CC1O)N
InChI
InChI=1S/C7H11NO/c1-7(8)5-3-2-4-6(7)9/h2-6,9H,8H2,1H3
InChIKey
OFYZSXCCMHLAMU-UHFFFAOYSA-N
Compound name
6-amino-6-methylcyclohexa-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

125.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.1
[M+Na]+ 148.073278 132.0
[M-H]- 124.076784 126.5
[M+NH4]+ 143.117883 147.4
[M+K]+ 164.047218 130.2
[M+H-H2O]+ 108.081320 120.0
[M+HCOO]- 170.082261 147.1
[M+CH3COO]- 184.097911 169.8
[M+Na-2H]- 146.058726 131.6
[M]+ 125.08351142 120.4
[M]- 125.08460858 120.4
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