CID 546109

Tert-butyl n-(4-methyl-1-oxopentan-2-yl)carbamate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)CC(C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)
InChIKey
RQSBRFZHUKLKNO-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

215.15215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 152.2
[M+Na]+ 238.14137 157.1
[M-H]- 214.14487 152.2
[M+NH4]+ 233.18597 170.8
[M+K]+ 254.11531 157.6
[M+H-H2O]+ 198.14941 147.2
[M+HCOO]- 260.15035 172.1
[M+CH3COO]- 274.16600 192.1
[M+Na-2H]- 236.12682 154.0
[M]+ 215.15160 154.9
[M]- 215.15270 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe