CID 23439125

149331-22-6

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC1(C2=C(C=C(C=C2)N)C(=O)O1)C
InChI
InChI=1S/C10H11NO2/c1-10(2)8-4-3-6(11)5-7(8)9(12)13-10/h3-5H,11H2,1-2H3
InChIKey
YYDFTFDFORIGIP-UHFFFAOYSA-N
Compound name
6-amino-3,3-dimethyl-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

177.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 134.1
[M+Na]+ 200.068198 144.7
[M-H]- 176.071704 139.9
[M+NH4]+ 195.112803 158.0
[M+K]+ 216.042138 143.1
[M+H-H2O]+ 160.076240 129.9
[M+HCOO]- 222.077181 157.7
[M+CH3COO]- 236.092831 182.4
[M+Na-2H]- 198.053646 141.0
[M]+ 177.07843142 135.1
[M]- 177.07952858 135.1
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

patents stripe