CID 132318019

8-amino-2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-4-ol

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1(CC(C2=C(O1)C(=CC=C2)N)O)C
InChI
InChI=1S/C11H15NO2/c1-11(2)6-9(13)7-4-3-5-8(12)10(7)14-11/h3-5,9,13H,6,12H2,1-2H3
InChIKey
WCXSNAHFUCWFMV-UHFFFAOYSA-N
Compound name
8-amino-2,2-dimethyl-3,4-dihydrochromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.2
[M+Na]+ 216.09950 149.8
[M-H]- 192.10300 145.2
[M+NH4]+ 211.14410 161.9
[M+K]+ 232.07344 148.0
[M+H-H2O]+ 176.10754 136.2
[M+HCOO]- 238.10848 160.5
[M+CH3COO]- 252.12413 184.3
[M+Na-2H]- 214.08495 148.4
[M]+ 193.10973 139.3
[M]- 193.11083 139.3
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

No patent data available for this compound.