CID 132371407

4-(methoxycarbonyl)cycloheptane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)C1CCCC(CC1)C(=O)O
InChI
InChI=1S/C10H16O4/c1-14-10(13)8-4-2-3-7(5-6-8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKey
ABJBVSOIDOQQRW-UHFFFAOYSA-N
Compound name
4-methoxycarbonylcycloheptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

200.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 139.9
[M+Na]+ 223.09408 146.4
[M+NH4]+ 218.13868 145.6
[M+K]+ 239.06802 144.8
[M-H]- 199.09758 139.1
[M+Na-2H]- 221.07953 142.4
[M]+ 200.10431 140.2
[M]- 200.10541 140.2
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

patents stripe