CID 14654468

Benzyl n-[2-(methoxymethoxy)ethyl]carbamate

Structural Information

Molecular Formula
C12H17NO4
SMILES
COCOCCNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H17NO4/c1-15-10-16-8-7-13-12(14)17-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKey
VTEZVUHFLIJPQP-UHFFFAOYSA-N
Compound name
benzyl N-[2-(methoxymethoxy)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

239.11575 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 153.4
[M+Na]+ 262.10497 158.5
[M-H]- 238.10847 156.4
[M+NH4]+ 257.14957 170.5
[M+K]+ 278.07891 157.9
[M+H-H2O]+ 222.11301 146.1
[M+HCOO]- 284.11395 178.1
[M+CH3COO]- 298.12960 192.0
[M+Na-2H]- 260.09042 159.1
[M]+ 239.11520 157.9
[M]- 239.11630 157.9
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