CID 59899869

387825-56-1

Structural Information

Molecular Formula
C9H17NO3
SMILES
COC1CCC(CC1)NC(=O)OC
InChI
InChI=1S/C9H17NO3/c1-12-8-5-3-7(4-6-8)10-9(11)13-2/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKey
BNHQVUAJNRTKRG-UHFFFAOYSA-N
Compound name
methyl N-(4-methoxycyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

187.12085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 141.5
[M+Na]+ 210.110068 145.9
[M-H]- 186.113574 144.4
[M+NH4]+ 205.154673 160.9
[M+K]+ 226.084008 146.1
[M+H-H2O]+ 170.118110 135.5
[M+HCOO]- 232.119051 162.6
[M+CH3COO]- 246.134701 183.2
[M+Na-2H]- 208.095516 145.1
[M]+ 187.12030142 139.6
[M]- 187.12139858 139.6
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

patents stripe