CID 576086

4,7-methano-2,3,8-methenocyclopent(a)indene, 1,2,3,3a,3b,4,7,7a,8,8a-decahydro-

Structural Information

Molecular Formula
C14H16
SMILES
C1C2C=CC1C3C2C4C5C3C6C4C6C5
InChI
InChI=1S/C14H16/c1-2-6-3-5(1)9-10(6)12-7-4-8-13(11(7)9)14(8)12/h1-2,5-14H,3-4H2
InChIKey
IGKDVUVITBCBRG-UHFFFAOYSA-N
Compound name
hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

184.1252 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.13248 130.3
[M+Na]+ 207.11442 140.3
[M-H]- 183.11792 136.6
[M+NH4]+ 202.15902 160.0
[M+K]+ 223.08836 134.2
[M+H-H2O]+ 167.12246 130.5
[M+HCOO]- 229.12340 145.8
[M+CH3COO]- 243.13905 143.9
[M+Na-2H]- 205.09987 129.5
[M]+ 184.12465 138.0
[M]- 184.12575 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe