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

20
Patents

253.13141 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 158.8
[M+Na]+ 276.12063 163.4
[M-H]- 252.12413 163.2
[M+NH4]+ 271.16523 175.8
[M+K]+ 292.09457 164.4
[M+H-H2O]+ 236.12867 151.2
[M+HCOO]- 298.12961 182.7
[M+CH3COO]- 312.14526 199.3
[M+Na-2H]- 274.10608 161.9
[M]+ 253.13086 164.3
[M]- 253.13196 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