CID 2761691

270263-03-1

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC=C)CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey
RFHPQLCVYMBPRF-QMMMGPOBSA-N
Compound name
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

229.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 154.2
[M+Na]+ 252.12063 159.8
[M+NH4]+ 247.16523 158.1
[M+K]+ 268.09457 158.0
[M-H]- 228.12413 150.1
[M+Na-2H]- 250.10608 153.7
[M]+ 229.13086 153.2
[M]- 229.13196 153.2
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