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

3533
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

literature stripe

Patent stripe

patents stripe