CID 169992

38049-29-5

Structural Information

Molecular Formula
C14H22O2
SMILES
CC1(C2CC=C(C1C2)CCCC(=O)OC)C
InChI
InChI=1S/C14H22O2/c1-14(2)11-8-7-10(12(14)9-11)5-4-6-13(15)16-3/h7,11-12H,4-6,8-9H2,1-3H3
InChIKey
MBUKQPVDYQVJCI-UHFFFAOYSA-N
Compound name
methyl 4-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.16199 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 150.6
[M+Na]+ 245.15121 156.4
[M+NH4]+ 240.19581 157.8
[M+K]+ 261.12515 149.6
[M-H]- 221.15471 146.4
[M+Na-2H]- 243.13666 148.2
[M]+ 222.16144 149.2
[M]- 222.16254 149.2
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.