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]+ 155.10666 132.7
[M+Na]+ 177.08860 140.7
[M-H]- 153.09210 136.4
[M+NH4]+ 172.13320 149.3
[M+K]+ 193.06254 137.9
[M+H-H2O]+ 137.09664 127.5
[M+HCOO]- 199.09758 151.1
[M+CH3COO]- 213.11323 178.5
[M+Na-2H]- 175.07405 137.8
[M]+ 154.09883 132.5
[M]- 154.09993 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.