CID 213178

Brn 3061346

Structural Information

Molecular Formula
C18H36N2O4
SMILES
CCCCN(CC(C)(CCC)COC(=O)NCCC(C)C)C(=O)O
InChI
InChI=1S/C18H36N2O4/c1-6-8-12-20(17(22)23)13-18(5,10-7-2)14-24-16(21)19-11-9-15(3)4/h15H,6-14H2,1-5H3,(H,19,21)(H,22,23)
InChIKey
QPCYJCBDBMQJLM-UHFFFAOYSA-N
Compound name
butyl-[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.26752 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.27480 191.0
[M+Na]+ 367.25674 191.6
[M-H]- 343.26024 189.6
[M+NH4]+ 362.30134 206.8
[M+K]+ 383.23068 191.7
[M+H-H2O]+ 327.26478 184.0
[M+HCOO]- 389.26572 206.8
[M+CH3COO]- 403.28137 221.0
[M+Na-2H]- 365.24219 188.4
[M]+ 344.26697 196.2
[M]- 344.26807 196.2
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.