CID 130554705

1-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(CCC1(C(=O)O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO4/c1-10(2,3)17-9(16)13-12(8(14)15)7-6-11(12,4)5/h6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
MTICWAQMELLTDX-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 162.0
[M+Na]+ 266.13628 164.1
[M+NH4]+ 261.18088 165.6
[M+K]+ 282.11022 160.2
[M-H]- 242.13978 157.3
[M+Na-2H]- 264.12173 163.3
[M]+ 243.14651 159.7
[M]- 243.14761 159.7
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.