CID 84726177

Tert-butyl n-[2-(2-methylpropyl)-3-oxopropyl]carbamate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)CC(CNC(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C12H23NO3/c1-9(2)6-10(8-14)7-13-11(15)16-12(3,4)5/h8-10H,6-7H2,1-5H3,(H,13,15)
InChIKey
DORQCCNLYAGUSQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formyl-4-methylpentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 156.9
[M+Na]+ 252.157018 161.3
[M-H]- 228.160524 156.7
[M+NH4]+ 247.201623 174.9
[M+K]+ 268.130958 161.6
[M+H-H2O]+ 212.165060 151.7
[M+HCOO]- 274.166001 176.5
[M+CH3COO]- 288.181651 195.1
[M+Na-2H]- 250.142466 158.2
[M]+ 229.16725142 160.0
[M]- 229.16834858 160.0
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.