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]+ 345.274796 191.0
[M+Na]+ 367.256738 191.6
[M-H]- 343.260244 189.6
[M+NH4]+ 362.301343 206.8
[M+K]+ 383.230678 191.7
[M+H-H2O]+ 327.264780 184.0
[M+HCOO]- 389.265721 206.8
[M+CH3COO]- 403.281371 221.0
[M+Na-2H]- 365.242186 188.4
[M]+ 344.26697142 196.2
[M]- 344.26806858 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.