CID 12592088

2-(cyclohept-4-en-1-yl)acetic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC(CCC=C1)CC(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)7-8-5-3-1-2-4-6-8/h1-2,8H,3-7H2,(H,10,11)
InChIKey
YSBLXDKXHWPHIX-UHFFFAOYSA-N
Compound name
2-cyclohept-4-en-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

154.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 128.0
[M+Na]+ 177.088598 130.9
[M-H]- 153.092104 130.7
[M+NH4]+ 172.133203 146.6
[M+K]+ 193.062538 134.1
[M+H-H2O]+ 137.096640 123.6
[M+HCOO]- 199.097581 147.1
[M+CH3COO]- 213.113231 175.7
[M+Na-2H]- 175.074046 132.4
[M]+ 154.09883142 121.7
[M]- 154.09992858 121.7
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