CID 84081263

2-(3-cyclopropylcyclobutyl)aceticacid,mixtureofdiastereomers

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC1C2CC(C2)CC(=O)O
InChI
InChI=1S/C9H14O2/c10-9(11)5-6-3-8(4-6)7-1-2-7/h6-8H,1-5H2,(H,10,11)
InChIKey
JWRWKHYHIJBXDQ-UHFFFAOYSA-N
Compound name
2-(3-cyclopropylcyclobutyl)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 129.0
[M+Na]+ 177.08860 135.7
[M-H]- 153.09210 135.1
[M+NH4]+ 172.13320 138.6
[M+K]+ 193.06254 136.4
[M+H-H2O]+ 137.09664 118.6
[M+HCOO]- 199.09758 148.8
[M+CH3COO]- 213.11323 182.1
[M+Na-2H]- 175.07405 132.9
[M]+ 154.09883 138.0
[M]- 154.09993 138.0
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.