CID 64146005

1-{[(tert-butoxy)carbonyl](cyclopropyl)amino}cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N(C1CC1)C2(CCC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14(9-5-6-9)13(10(15)16)7-4-8-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
XQYPBBNZIBGBOQ-UHFFFAOYSA-N
Compound name
1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.3
[M+Na]+ 278.13628 164.2
[M-H]- 254.13978 167.0
[M+NH4]+ 273.18088 167.6
[M+K]+ 294.11022 167.3
[M+H-H2O]+ 238.14432 150.5
[M+HCOO]- 300.14526 177.6
[M+CH3COO]- 314.16091 201.7
[M+Na-2H]- 276.12173 162.5
[M]+ 255.14651 171.9
[M]- 255.14761 171.9
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.