CID 58566464

355837-47-7

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1(CCC2=C(O1)C(=CC=C2)CO)C
InChI
InChI=1S/C12H16O2/c1-12(2)7-6-9-4-3-5-10(8-13)11(9)14-12/h3-5,13H,6-8H2,1-2H3
InChIKey
ZBLTYQIDJRNBGR-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3,4-dihydrochromen-8-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

192.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 141.0
[M+Na]+ 215.10426 149.1
[M-H]- 191.10776 145.1
[M+NH4]+ 210.14886 162.1
[M+K]+ 231.07820 147.5
[M+H-H2O]+ 175.11230 135.9
[M+HCOO]- 237.11324 159.7
[M+CH3COO]- 251.12889 181.7
[M+Na-2H]- 213.08971 149.1
[M]+ 192.11449 140.7
[M]- 192.11559 140.7
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