CID 4243111

Methyl 2-(cyclohexylformamido)-3-hydroxypropanoate

Structural Information

Molecular Formula
C11H19NO4
SMILES
COC(=O)C(CO)NC(=O)C1CCCCC1
InChI
InChI=1S/C11H19NO4/c1-16-11(15)9(7-13)12-10(14)8-5-3-2-4-6-8/h8-9,13H,2-7H2,1H3,(H,12,14)
InChIKey
QXQVMASLXYZEKT-UHFFFAOYSA-N
Compound name
methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 153.2
[M+Na]+ 252.12063 159.3
[M+NH4]+ 247.16523 158.8
[M+K]+ 268.09457 156.4
[M-H]- 228.12413 152.4
[M+Na-2H]- 250.10608 154.6
[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

No patent data available for this compound.