CID 49787363

Schembl2581833

Structural Information

Molecular Formula

C₁₄H₂₇NO₃

SMILES

CC1CC(CC(C1)(C)C)OC(=O)NCCCOC

InChI

InChI=1S/C14H27NO3/c1-11-8-12(10-14(2,3)9-11)18-13(16)15-6-5-7-17-4/h11-12H,5-10H2,1-4H3,(H,15,16)

InChIKey

XKPVQQCVMUKNEK-UHFFFAOYSA-N

Compound name

(3,3,5-trimethylcyclohexyl) N-(3-methoxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 257.1991 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.206376	162.4
[M+Na]+	280.188318	166.5
[M-H]-	256.191824	165.0
[M+NH4]+	275.232923	181.3
[M+K]+	296.162258	165.9
[M+H-H2O]+	240.196360	156.8
[M+HCOO]-	302.197301	181.8
[M+CH3COO]-	316.212951	199.0
[M+Na-2H]-	278.173766	164.0
[M]+	257.19855142	163.0
[M]-	257.19964858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe