CID 117314633

1-(2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-6-yl)propan-2-ol

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(CC1=CC2=C(C=C1)OC(CC2)(C)C)O
InChI
InChI=1S/C14H20O2/c1-10(15)8-11-4-5-13-12(9-11)6-7-14(2,3)16-13/h4-5,9-10,15H,6-8H2,1-3H3
InChIKey
BTMGYHSOGFTNOE-UHFFFAOYSA-N
Compound name
1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 150.6
[M+Na]+ 243.135548 157.5
[M-H]- 219.139054 154.3
[M+NH4]+ 238.180153 170.5
[M+K]+ 259.109488 156.0
[M+H-H2O]+ 203.143590 145.3
[M+HCOO]- 265.144531 167.6
[M+CH3COO]- 279.160181 188.7
[M+Na-2H]- 241.120996 156.4
[M]+ 220.14578142 150.4
[M]- 220.14687858 150.4
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.