CID 154413761

Dtxsid401369873

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1=C(C2(CC1CC2C(=O)OC)C(=C)C)C
InChI
InChI=1S/C14H20O2/c1-8(2)14-7-11(9(3)10(14)4)6-12(14)13(15)16-5/h11-12H,1,6-7H2,2-5H3
InChIKey
LSOZMLDSSAYWLY-UHFFFAOYSA-N
Compound name
methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 153.2
[M+Na]+ 243.135548 161.7
[M-H]- 219.139054 156.6
[M+NH4]+ 238.180153 179.4
[M+K]+ 259.109488 159.1
[M+H-H2O]+ 203.143590 150.3
[M+HCOO]- 265.144531 173.0
[M+CH3COO]- 279.160181 192.5
[M+Na-2H]- 241.120996 153.1
[M]+ 220.14578142 155.7
[M]- 220.14687858 155.7
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.