CID 23135886

Methyl 3-dodecanamidopropanoate

Structural Information

Molecular Formula
C16H31NO3
SMILES
CCCCCCCCCCCC(=O)NCCC(=O)OC
InChI
InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14-13-16(19)20-2/h3-14H2,1-2H3,(H,17,18)
InChIKey
DIPNQRYMIPDROO-UHFFFAOYSA-N
Compound name
methyl 3-(dodecanoylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

285.2304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.237676 176.0
[M+Na]+ 308.219618 178.4
[M-H]- 284.223124 174.5
[M+NH4]+ 303.264223 191.5
[M+K]+ 324.193558 176.7
[M+H-H2O]+ 268.227660 169.0
[M+HCOO]- 330.228601 196.7
[M+CH3COO]- 344.244251 206.6
[M+Na-2H]- 306.205066 175.5
[M]+ 285.22985142 181.7
[M]- 285.23094858 181.7
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