CID 84081263

1780125-40-7

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]+ 155.106656 129.0
[M+Na]+ 177.088598 135.7
[M-H]- 153.092104 135.1
[M+NH4]+ 172.133203 138.6
[M+K]+ 193.062538 136.4
[M+H-H2O]+ 137.096640 118.6
[M+HCOO]- 199.097581 148.8
[M+CH3COO]- 213.113231 182.1
[M+Na-2H]- 175.074046 132.9
[M]+ 154.09883142 138.0
[M]- 154.09992858 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.