CID 10729698

193086-65-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC1)C/C=C/C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-13(8-5-9-13)7-4-6-10(15)16/h4,6H,5,7-9H2,1-3H3,(H,14,17)(H,15,16)/b6-4+
InChIKey
SXVNAOBGFOYCBT-GQCTYLIASA-N
Compound name
(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

255.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 165.1
[M+Na]+ 278.136278 167.4
[M-H]- 254.139784 166.4
[M+NH4]+ 273.180883 176.2
[M+K]+ 294.110218 169.5
[M+H-H2O]+ 238.144320 155.2
[M+HCOO]- 300.145261 182.0
[M+CH3COO]- 314.160911 195.8
[M+Na-2H]- 276.121726 167.0
[M]+ 255.14651142 173.6
[M]- 255.14760858 173.6
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