CID 14792433

2,2-dimethyl-2h-chromen-5-ol

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1(C=CC2=C(C=CC=C2O1)O)C
InChI
InChI=1S/C11H12O2/c1-11(2)7-6-8-9(12)4-3-5-10(8)13-11/h3-7,12H,1-2H3
InChIKey
SHBLUYDDXWADNS-UHFFFAOYSA-N
Compound name
2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

176.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.7
[M+Na]+ 199.07294 144.3
[M-H]- 175.07644 139.4
[M+NH4]+ 194.11754 156.6
[M+K]+ 215.04688 142.8
[M+H-H2O]+ 159.08098 129.8
[M+HCOO]- 221.08192 155.2
[M+CH3COO]- 235.09757 178.3
[M+Na-2H]- 197.05839 144.4
[M]+ 176.08317 135.5
[M]- 176.08427 135.5
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