CID 13297839

92812-22-1

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1([C@@H](C[C@@H]1N)C(=O)O)C
InChI
InChI=1S/C7H13NO2/c1-7(2)4(6(9)10)3-5(7)8/h4-5H,3,8H2,1-2H3,(H,9,10)/t4-,5-/m0/s1
InChIKey
HEVNTZPOSTVEDU-WHFBIAKZSA-N
Compound name
trans-(1R,3S)-3-amino-2,2-dimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 133.1
[M+Na]+ 166.083858 139.2
[M-H]- 142.087364 135.5
[M+NH4]+ 161.128463 149.1
[M+K]+ 182.057798 141.4
[M+H-H2O]+ 126.091900 124.4
[M+HCOO]- 188.092841 153.1
[M+CH3COO]- 202.108491 179.0
[M+Na-2H]- 164.069306 136.1
[M]+ 143.09409142 139.3
[M]- 143.09518858 139.3
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.