CID 10329481

153580-04-2

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1(CCC=C1C(=O)OC)C
InChI
InChI=1S/C9H14O2/c1-9(2)6-4-5-7(9)8(10)11-3/h5H,4,6H2,1-3H3
InChIKey
TUWXURUKZFEWGX-UHFFFAOYSA-N
Compound name
methyl 5,5-dimethylcyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 132.0
[M+Na]+ 177.08860 140.3
[M-H]- 153.09210 136.0
[M+NH4]+ 172.13320 157.2
[M+K]+ 193.06254 139.8
[M+H-H2O]+ 137.09664 128.1
[M+HCOO]- 199.09758 155.6
[M+CH3COO]- 213.11323 175.8
[M+Na-2H]- 175.07405 136.4
[M]+ 154.09883 133.3
[M]- 154.09993 133.3
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.