CID 165981660

Tert-butyl n-(4-tert-butyl-1-formylcyclohexyl)carbamate

Structural Information

Molecular Formula
C16H29NO3
SMILES
CC(C)(C)C1CCC(CC1)(C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H29NO3/c1-14(2,3)12-7-9-16(11-18,10-8-12)17-13(19)20-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)
InChIKey
HPIHNRFCUVTQKC-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-tert-butyl-1-formylcyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.222026 168.5
[M+Na]+ 306.203968 172.2
[M-H]- 282.207474 171.1
[M+NH4]+ 301.248573 186.4
[M+K]+ 322.177908 171.6
[M+H-H2O]+ 266.212010 164.1
[M+HCOO]- 328.212951 184.4
[M+CH3COO]- 342.228601 202.5
[M+Na-2H]- 304.189416 172.2
[M]+ 283.21420142 167.8
[M]- 283.21529858 167.8
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.