CID 10047

Bornylene

Structural Information

Molecular Formula
C10H16
SMILES
CC1(C2CCC1(C=C2)C)C
InChI
InChI=1S/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3
InChIKey
KUKRLSJNTMLPPK-UHFFFAOYSA-N
Compound name
1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4173
Patents

136.1252 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 130.7
[M+Na]+ 159.11442 140.3
[M-H]- 135.11792 134.4
[M+NH4]+ 154.15902 161.9
[M+K]+ 175.08836 137.8
[M+H-H2O]+ 119.12246 127.8
[M+HCOO]- 181.12340 153.2
[M+CH3COO]- 195.13905 174.9
[M+Na-2H]- 157.09987 137.0
[M]+ 136.12465 131.2
[M]- 136.12575 131.2
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