CID 213169

Propionylcarbamic acid 2-methyl-2-propyltrimethylene ester

Structural Information

Molecular Formula
C15H26N2O6
SMILES
CCC(=O)NC(=O)OCC(C)C(C(C)C)OC(=O)NC(=O)CC
InChI
InChI=1S/C15H26N2O6/c1-6-11(18)16-14(20)22-8-10(5)13(9(3)4)23-15(21)17-12(19)7-2/h9-10,13H,6-8H2,1-5H3,(H,16,18,20)(H,17,19,21)
InChIKey
WLMFHKDJSUDVFG-UHFFFAOYSA-N
Compound name
[2,4-dimethyl-3-(propanoylcarbamoyloxy)pentyl] N-propanoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17908 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18636 180.8
[M+Na]+ 353.16830 182.3
[M-H]- 329.17180 180.0
[M+NH4]+ 348.21290 204.3
[M+K]+ 369.14224 184.4
[M+H-H2O]+ 313.17634 173.9
[M+HCOO]- 375.17728 194.0
[M+CH3COO]- 389.19293 215.2
[M+Na-2H]- 351.15375 175.5
[M]+ 330.17853 184.7
[M]- 330.17963 184.7
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

No patent data available for this compound.