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
2
Annotation Hits

0
References

37
Patents

220.2191 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.226376 153.5
[M+Na]+ 243.208318 155.9
[M-H]- 219.211824 154.3
[M+NH4]+ 238.252923 171.7
[M+K]+ 259.182258 153.8
[M+H-H2O]+ 203.216360 150.7
[M+HCOO]- 265.217301 169.3
[M+CH3COO]- 279.232951 184.4
[M+Na-2H]- 241.193766 153.2
[M]+ 220.21855142 143.0
[M]- 220.21964858 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