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 153.3
[M+Na]+ 252.12063 155.2
[M-H]- 228.12413 154.1
[M+NH4]+ 247.16523 169.6
[M+K]+ 268.09457 155.0
[M+H-H2O]+ 212.12867 146.9
[M+HCOO]- 274.12961 170.6
[M+CH3COO]- 288.14526 188.7
[M+Na-2H]- 250.10608 153.6
[M]+ 229.13086 149.3
[M]- 229.13196 149.3
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.