CID 79022

Cyclofenchene

Structural Information

Molecular Formula
C10H16
SMILES
CC1(C2CC3C1C3(C2)C)C
InChI
InChI=1S/C10H16/c1-9(2)6-4-7-8(9)10(7,3)5-6/h6-8H,4-5H2,1-3H3
InChIKey
NZXWDTCLMXDSHY-UHFFFAOYSA-N
Compound name
1,3,3-trimethyltricyclo[2.2.1.02,6]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

136.1252 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 129.5
[M+Na]+ 159.114418 141.0
[M-H]- 135.117924 132.6
[M+NH4]+ 154.159023 159.3
[M+K]+ 175.088358 136.9
[M+H-H2O]+ 119.122460 127.6
[M+HCOO]- 181.123401 146.5
[M+CH3COO]- 195.139051 143.9
[M+Na-2H]- 157.099866 136.6
[M]+ 136.12465142 137.8
[M]- 136.12574858 137.8
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

No patent data available for this compound.