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]+ 230.17508 156.9
[M+Na]+ 252.15702 161.3
[M-H]- 228.16052 156.7
[M+NH4]+ 247.20162 174.9
[M+K]+ 268.13096 161.6
[M+H-H2O]+ 212.16506 151.7
[M+HCOO]- 274.16600 176.5
[M+CH3COO]- 288.18165 195.1
[M+Na-2H]- 250.14247 158.2
[M]+ 229.16725 160.0
[M]- 229.16835 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.