CID 92030009

1392277-05-2

Structural Information

Molecular Formula
C16H26O
SMILES
CCCC12CCC3(C1)C(C2=O)CCCC3(C)C
InChI
InChI=1S/C16H26O/c1-4-7-15-9-10-16(11-15)12(13(15)17)6-5-8-14(16,2)3/h12H,4-11H2,1-3H3
InChIKey
ZPCPEAQXBTYVJJ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalen-8-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

234.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 158.6
[M+Na]+ 257.18758 165.9
[M-H]- 233.19108 162.6
[M+NH4]+ 252.23218 188.2
[M+K]+ 273.16152 161.3
[M+H-H2O]+ 217.19562 154.6
[M+HCOO]- 279.19656 175.0
[M+CH3COO]- 293.21221 193.3
[M+Na-2H]- 255.17303 161.3
[M]+ 234.19781 157.0
[M]- 234.19891 157.0
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