CID 79425944

1510186-77-2

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC(C1)CC2(CC2)C(=O)O
InChI
InChI=1S/C9H14O2/c10-8(11)9(4-5-9)6-7-2-1-3-7/h7H,1-6H2,(H,10,11)
InChIKey
CQWSAHIVDKBHHH-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 132.1
[M+Na]+ 177.08860 138.7
[M-H]- 153.09210 138.3
[M+NH4]+ 172.13320 143.3
[M+K]+ 193.06254 140.1
[M+H-H2O]+ 137.09664 123.0
[M+HCOO]- 199.09758 151.6
[M+CH3COO]- 213.11323 180.6
[M+Na-2H]- 175.07405 137.4
[M]+ 154.09883 141.2
[M]- 154.09993 141.2
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.