CID 170853

Dodecahydro-1,1-dimethyl-1h-naphtho[1,2-c]pyran

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(C2C(CCC3C2CCCC3)CCO1)C
InChI
InChI=1S/C15H26O/c1-15(2)14-12(9-10-16-15)8-7-11-5-3-4-6-13(11)14/h11-14H,3-10H2,1-2H3
InChIKey
KDPFJSKAMCNRLJ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[h]isochromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

222.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 153.6
[M+Na]+ 245.18758 156.9
[M-H]- 221.19108 157.5
[M+NH4]+ 240.23218 174.3
[M+K]+ 261.16152 154.9
[M+H-H2O]+ 205.19562 146.9
[M+HCOO]- 267.19656 164.7
[M+CH3COO]- 281.21221 163.8
[M+Na-2H]- 243.17303 157.8
[M]+ 222.19781 145.7
[M]- 222.19891 145.7
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