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]+ 284.22203 169.1
[M+Na]+ 306.20397 175.8
[M+NH4]+ 301.24857 176.1
[M+K]+ 322.17791 170.5
[M-H]- 282.20747 168.3
[M+Na-2H]- 304.18942 172.6
[M]+ 283.21420 169.7
[M]- 283.21530 169.7
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.