CID 39345564

Tert-butyln-[(3r)-4,4-dimethyl-1-oxopentan-3-yl]carbamate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)[C@@H](CC=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO3/c1-11(2,3)9(7-8-14)13-10(15)16-12(4,5)6/h8-9H,7H2,1-6H3,(H,13,15)/t9-/m1/s1
InChIKey
YQENZVRVJWTMQY-SECBINFHSA-N
Compound name
tert-butyl N-[(3R)-4,4-dimethyl-1-oxopentan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 155.5
[M+Na]+ 252.15702 160.7
[M-H]- 228.16052 155.7
[M+NH4]+ 247.20162 173.8
[M+K]+ 268.13096 161.0
[M+H-H2O]+ 212.16506 151.1
[M+HCOO]- 274.16600 174.6
[M+CH3COO]- 288.18165 194.0
[M+Na-2H]- 250.14247 159.1
[M]+ 229.16725 158.7
[M]- 229.16835 158.7
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.