CID 22401194

1824237-63-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 154.0
[M+Na]+ 252.12063 158.6
[M-H]- 228.12413 152.5
[M+NH4]+ 247.16523 171.0
[M+K]+ 268.09457 158.2
[M+H-H2O]+ 212.12867 149.0
[M+HCOO]- 274.12961 172.7
[M+CH3COO]- 288.14526 190.7
[M+Na-2H]- 250.10608 155.4
[M]+ 229.13086 155.4
[M]- 229.13196 155.4
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