CID 530422

Refchem:198630

Structural Information

Molecular Formula
C10H16
SMILES
CC1CC2C(C2(C)C)C=C1
InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3
InChIKey
LGNSZMLHOYDATP-UHFFFAOYSA-N
Compound name
4,7,7-trimethylbicyclo[4.1.0]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

202
Patents

136.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 129.8
[M+Na]+ 159.11442 140.3
[M-H]- 135.11792 135.8
[M+NH4]+ 154.15902 150.4
[M+K]+ 175.08836 138.5
[M+H-H2O]+ 119.12246 125.3
[M+HCOO]- 181.12340 150.8
[M+CH3COO]- 195.13905 180.5
[M+Na-2H]- 157.09987 137.2
[M]+ 136.12465 132.1
[M]- 136.12575 132.1
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.