CID 71435175

Tert-butyl n-(1-methoxy-3-oxopropan-2-yl)carbamate

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)(C)OC(=O)NC(COC)C=O
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-7(5-11)6-13-4/h5,7H,6H2,1-4H3,(H,10,12)
InChIKey
LPYDCOMBGHGXAC-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-methoxy-3-oxopropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

203.11575 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 145.8
[M+Na]+ 226.10497 151.6
[M-H]- 202.10847 146.1
[M+NH4]+ 221.14957 164.8
[M+K]+ 242.07891 152.7
[M+H-H2O]+ 186.11301 140.8
[M+HCOO]- 248.11395 167.6
[M+CH3COO]- 262.12960 187.2
[M+Na-2H]- 224.09042 150.0
[M]+ 203.11520 149.8
[M]- 203.11630 149.8
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