CID 121207786

1935413-64-1

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(CC(C1)(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)6-11(4,5)7-12/h6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
BTWUOMUBNBYAJH-UHFFFAOYSA-N
Compound name
3,3-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 160.7
[M+Na]+ 266.13628 164.9
[M-H]- 242.13978 163.0
[M+NH4]+ 261.18088 174.7
[M+K]+ 282.11022 168.1
[M+H-H2O]+ 226.14432 153.1
[M+HCOO]- 288.14526 177.7
[M+CH3COO]- 302.16091 195.4
[M+Na-2H]- 264.12173 164.0
[M]+ 243.14651 170.5
[M]- 243.14761 170.5
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.