CID 130966925

18335-65-4

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(C)[C@@H]1CC[C@H]1C(=O)O
InChI
InChI=1S/C9H16O2/c1-9(2,3)7-5-4-6(7)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7-/m1/s1
InChIKey
IUNRMEGMKLOHRZ-RNFRBKRXSA-N
Compound name
trans-(1R,2R)-2-tert-butylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.