CID 5382865

(4z)-cyclooct-4-ene-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1C/C=C\CCC(C1)C(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2,(H,10,11)/b2-1-
InChIKey
KXJSFMMHUAFBLF-UPHRSURJSA-N
Compound name
(4Z)-cyclooct-4-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

154.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 142.1
[M+Na]+ 177.08860 146.1
[M-H]- 153.09210 143.2
[M+NH4]+ 172.13320 151.2
[M+K]+ 193.06254 146.7
[M+H-H2O]+ 137.09664 138.9
[M+HCOO]- 199.09758 150.9
[M+CH3COO]- 213.11323 217.9
[M+Na-2H]- 175.07405 142.6
[M]+ 154.09883 140.2
[M]- 154.09993 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

literature stripe

Patent stripe

patents stripe