CID 91169202

2-(4-methylidenecyclohexyl)acetic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C=C1CCC(CC1)CC(=O)O
InChI
InChI=1S/C9H14O2/c1-7-2-4-8(5-3-7)6-9(10)11/h8H,1-6H2,(H,10,11)
InChIKey
XLNMRLVIUNXFEK-UHFFFAOYSA-N
Compound name
2-(4-methylidenecyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 133.5
[M+Na]+ 177.088598 138.6
[M-H]- 153.092104 135.1
[M+NH4]+ 172.133203 153.7
[M+K]+ 193.062538 136.8
[M+H-H2O]+ 137.096640 128.5
[M+HCOO]- 199.097581 152.0
[M+CH3COO]- 213.113231 174.0
[M+Na-2H]- 175.074046 136.3
[M]+ 154.09883142 128.4
[M]- 154.09992858 128.4
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