CID 84671399

Tert-butyl n-(3-methoxy-2-oxopropyl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.123026 145.8
[M+Na]+ 226.104968 151.6
[M-H]- 202.108474 146.1
[M+NH4]+ 221.149573 164.8
[M+K]+ 242.078908 152.7
[M+H-H2O]+ 186.113010 140.8
[M+HCOO]- 248.113951 167.6
[M+CH3COO]- 262.129601 187.2
[M+Na-2H]- 224.090416 150.0
[M]+ 203.11520142 149.8
[M]- 203.11629858 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

No literature data available for this compound.

Patent stripe

patents stripe