CID 5382614

(2e)-3-cyclohexylprop-2-enoic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CCC(CC1)/C=C/C(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,11)/b7-6+
InChIKey
GYEYFOYXHNRMGO-VOTSOKGWSA-N
Compound name
(E)-3-cyclohexylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

154.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 134.6
[M+Na]+ 177.088598 138.8
[M-H]- 153.092104 135.8
[M+NH4]+ 172.133203 154.5
[M+K]+ 193.062538 137.0
[M+H-H2O]+ 137.096640 129.3
[M+HCOO]- 199.097581 153.1
[M+CH3COO]- 213.113231 172.2
[M+Na-2H]- 175.074046 138.0
[M]+ 154.09883142 129.0
[M]- 154.09992858 129.0
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

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