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]+ 230.138686 153.3
[M+Na]+ 252.120628 155.2
[M-H]- 228.124134 154.1
[M+NH4]+ 247.165233 169.6
[M+K]+ 268.094568 155.0
[M+H-H2O]+ 212.128670 146.9
[M+HCOO]- 274.129611 170.6
[M+CH3COO]- 288.145261 188.7
[M+Na-2H]- 250.106076 153.6
[M]+ 229.13086142 149.3
[M]- 229.13195858 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.