CID 14609946

Dtxsid501143761

Structural Information

Molecular Formula
C16H28
SMILES
CC1CC2=C(C1)CCCCCCCCCC2
InChI
InChI=1S/C16H28/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(15)13-14/h14H,2-13H2,1H3
InChIKey
CMHQGTXOGZJYPN-UHFFFAOYSA-N
Compound name
2-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[12]annulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

220.2191 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.22638 153.5
[M+Na]+ 243.20832 155.9
[M-H]- 219.21182 154.3
[M+NH4]+ 238.25292 171.7
[M+K]+ 259.18226 153.8
[M+H-H2O]+ 203.21636 150.7
[M+HCOO]- 265.21730 169.3
[M+CH3COO]- 279.23295 184.4
[M+Na-2H]- 241.19377 153.2
[M]+ 220.21855 143.0
[M]- 220.21965 143.0
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