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

20
Patents

177.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 134.1
[M+Na]+ 200.06820 144.7
[M-H]- 176.07170 139.9
[M+NH4]+ 195.11280 158.0
[M+K]+ 216.04214 143.1
[M+H-H2O]+ 160.07624 129.9
[M+HCOO]- 222.07718 157.7
[M+CH3COO]- 236.09283 182.4
[M+Na-2H]- 198.05365 141.0
[M]+ 177.07843 135.1
[M]- 177.07953 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