CID 84081261

2-(3-tert-butylcyclobutyl)acetic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)(C)C1CC(C1)CC(=O)O
InChI
InChI=1S/C10H18O2/c1-10(2,3)8-4-7(5-8)6-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKey
QBXGTEPOGMZIJI-UHFFFAOYSA-N
Compound name
2-(3-tert-butylcyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 139.8
[M+Na]+ 193.119898 144.6
[M-H]- 169.123404 141.9
[M+NH4]+ 188.164503 153.4
[M+K]+ 209.093838 146.6
[M+H-H2O]+ 153.127940 130.5
[M+HCOO]- 215.128881 157.2
[M+CH3COO]- 229.144531 182.7
[M+Na-2H]- 191.105346 142.7
[M]+ 170.13013142 147.7
[M]- 170.13122858 147.7
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.