CID 129950575

1207111-45-2

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC1(CCC(=O)CC1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-9-13(4)7-5-10(15)6-8-13/h5-9H2,1-4H3,(H,14,16)
InChIKey
MWNICYBMNRGXEQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-methyl-4-oxocyclohexyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 156.6
[M+Na]+ 264.15702 161.1
[M-H]- 240.16052 159.5
[M+NH4]+ 259.20162 176.1
[M+K]+ 280.13096 160.6
[M+H-H2O]+ 224.16506 151.9
[M+HCOO]- 286.16600 175.1
[M+CH3COO]- 300.18165 193.6
[M+Na-2H]- 262.14247 160.5
[M]+ 241.16725 155.4
[M]- 241.16835 155.4
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.