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

26
Patents

192.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 141.0
[M+Na]+ 215.104258 149.1
[M-H]- 191.107764 145.1
[M+NH4]+ 210.148863 162.1
[M+K]+ 231.078198 147.5
[M+H-H2O]+ 175.112300 135.9
[M+HCOO]- 237.113241 159.7
[M+CH3COO]- 251.128891 181.7
[M+Na-2H]- 213.089706 149.1
[M]+ 192.11449142 140.7
[M]- 192.11558858 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