CID 79035

Tricyclene

Structural Information

Molecular Formula
C10H16
SMILES
CC1(C2CC3C1(C3C2)C)C
InChI
InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3
InChIKey
RRBYUSWBLVXTQN-UHFFFAOYSA-N
Compound name
1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

3501
Patents

136.1252 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 129.5
[M+Na]+ 159.11442 141.0
[M-H]- 135.11792 132.6
[M+NH4]+ 154.15902 159.3
[M+K]+ 175.08836 136.9
[M+H-H2O]+ 119.12246 127.6
[M+HCOO]- 181.12340 146.5
[M+CH3COO]- 195.13905 143.9
[M+Na-2H]- 157.09987 136.6
[M]+ 136.12465 137.8
[M]- 136.12575 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.