CID 58058121

1355573-66-8

Structural Information

Molecular Formula
C13H19NO4
SMILES
CN(CC(OC)OC)C(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H19NO4/c1-14(9-12(16-2)17-3)13(15)18-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKey
HEBMMQSGJYUMAK-UHFFFAOYSA-N
Compound name
benzyl N-(2,2-dimethoxyethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

253.13141 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 158.8
[M+Na]+ 276.120628 163.4
[M-H]- 252.124134 163.2
[M+NH4]+ 271.165233 175.8
[M+K]+ 292.094568 164.4
[M+H-H2O]+ 236.128670 151.2
[M+HCOO]- 298.129611 182.7
[M+CH3COO]- 312.145261 199.3
[M+Na-2H]- 274.106076 161.9
[M]+ 253.13086142 164.3
[M]- 253.13195858 164.3
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