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]+ 244.154336 160.1
[M+Na]+ 266.136278 164.3
[M-H]- 242.139784 162.3
[M+NH4]+ 261.180883 172.3
[M+K]+ 282.110218 167.3
[M+H-H2O]+ 226.144320 151.0
[M+HCOO]- 288.145261 177.1
[M+CH3COO]- 302.160911 196.9
[M+Na-2H]- 264.121726 161.4
[M]+ 243.14651142 169.8
[M]- 243.14760858 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