CID 165354502

Khezbzyxmhbvsi-uhfffaoysa-n

Structural Information

Molecular Formula
C13H20O2
SMILES
CC12CCCC1CCC3C2C(=O)CCO3
InChI
InChI=1S/C13H20O2/c1-13-7-2-3-9(13)4-5-11-12(13)10(14)6-8-15-11/h9,11-12H,2-8H2,1H3
InChIKey
KHEZBZYXMHBVSI-UHFFFAOYSA-N
Compound name
9a-methyl-2,3,4a,5,6,6a,7,8,9,9b-decahydrocyclopenta[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 147.2
[M+Na]+ 231.135548 152.7
[M-H]- 207.139054 151.9
[M+NH4]+ 226.180153 170.5
[M+K]+ 247.109488 150.8
[M+H-H2O]+ 191.143590 142.1
[M+HCOO]- 253.144531 161.7
[M+CH3COO]- 267.160181 159.1
[M+Na-2H]- 229.120996 151.2
[M]+ 208.14578142 141.8
[M]- 208.14687858 141.8
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.