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

50
Patents

255.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 165.1
[M+Na]+ 278.13628 167.4
[M-H]- 254.13978 166.4
[M+NH4]+ 273.18088 176.2
[M+K]+ 294.11022 169.5
[M+H-H2O]+ 238.14432 155.2
[M+HCOO]- 300.14526 182.0
[M+CH3COO]- 314.16091 195.8
[M+Na-2H]- 276.12173 167.0
[M]+ 255.14651 173.6
[M]- 255.14761 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