CID 66860022

1779745-51-5

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(C(CC1NC(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-7(9(14)15)12(8,4)5/h7-8H,6H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
AOJXKOSBUVHAIA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 160.1
[M+Na]+ 266.13628 164.3
[M-H]- 242.13978 162.3
[M+NH4]+ 261.18088 172.3
[M+K]+ 282.11022 167.3
[M+H-H2O]+ 226.14432 151.0
[M+HCOO]- 288.14526 177.1
[M+CH3COO]- 302.16091 196.9
[M+Na-2H]- 264.12173 161.4
[M]+ 243.14651 169.8
[M]- 243.14761 169.8
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

patents stripe