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]+ 171.13796 139.8
[M+Na]+ 193.11990 144.6
[M-H]- 169.12340 141.9
[M+NH4]+ 188.16450 153.4
[M+K]+ 209.09384 146.6
[M+H-H2O]+ 153.12794 130.5
[M+HCOO]- 215.12888 157.2
[M+CH3COO]- 229.14453 182.7
[M+Na-2H]- 191.10535 142.7
[M]+ 170.13013 147.7
[M]- 170.13123 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.