CID 47805

66016-27-1

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(C)C1CC(C1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-9(2,3)7-4-6(5-7)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey
RWZPVFOKYIJACO-UHFFFAOYSA-N
Compound name
3-tert-butylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 135.0
[M+Na]+ 179.104258 140.3
[M-H]- 155.107764 137.3
[M+NH4]+ 174.148863 149.2
[M+K]+ 195.078198 142.5
[M+H-H2O]+ 139.112300 125.9
[M+HCOO]- 201.113241 152.8
[M+CH3COO]- 215.128891 179.7
[M+Na-2H]- 177.089706 138.5
[M]+ 156.11449142 142.6
[M]- 156.11558858 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe