CID 4169398

2-(4-methylcyclohexylidene)acetic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1CCC(=CC(=O)O)CC1
InChI
InChI=1S/C9H14O2/c1-7-2-4-8(5-3-7)6-9(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
GHWHMSBKFOPPFM-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohexylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

154.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 133.7
[M+Na]+ 177.088598 138.9
[M-H]- 153.092104 135.3
[M+NH4]+ 172.133203 154.0
[M+K]+ 193.062538 137.1
[M+H-H2O]+ 137.096640 128.8
[M+HCOO]- 199.097581 152.3
[M+CH3COO]- 213.113231 173.3
[M+Na-2H]- 175.074046 136.6
[M]+ 154.09883142 128.6
[M]- 154.09992858 128.6
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