CID 117184

25384-40-1

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCC(C)(CO)COC(=O)N(C)C(C)CC1=CC=CC=C1
InChI
InChI=1S/C18H29NO3/c1-5-11-18(3,13-20)14-22-17(21)19(4)15(2)12-16-9-7-6-8-10-16/h6-10,15,20H,5,11-14H2,1-4H3
InChIKey
KRSJNPQCDCZRDP-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylpentyl] N-methyl-N-(1-phenylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 178.4
[M+Na]+ 330.20397 181.0
[M-H]- 306.20747 180.8
[M+NH4]+ 325.24857 192.8
[M+K]+ 346.17791 179.9
[M+H-H2O]+ 290.21201 171.2
[M+HCOO]- 352.21295 197.3
[M+CH3COO]- 366.22860 210.0
[M+Na-2H]- 328.18942 179.2
[M]+ 307.21420 181.9
[M]- 307.21530 181.9
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.