CID 84649980

1784988-07-3

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC2CC2CC1CC(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)4-6-1-2-7-5-8(7)3-6/h6-8H,1-5H2,(H,10,11)
InChIKey
NJGZYXPJPARJDI-UHFFFAOYSA-N
Compound name
2-(3-bicyclo[4.1.0]heptanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.7
[M+Na]+ 177.088598 140.7
[M-H]- 153.092104 136.4
[M+NH4]+ 172.133203 149.3
[M+K]+ 193.062538 137.9
[M+H-H2O]+ 137.096640 127.5
[M+HCOO]- 199.097581 151.1
[M+CH3COO]- 213.113231 178.5
[M+Na-2H]- 175.074046 137.8
[M]+ 154.09883142 132.5
[M]- 154.09992858 132.5
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

No patent data available for this compound.