CID 11064482

145881-74-9

Structural Information

Molecular Formula
C12H17NO4
SMILES
C1=CC=C(C=C1)COC(=O)NCCOCCO
InChI
InChI=1S/C12H17NO4/c14-7-9-16-8-6-13-12(15)17-10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,13,15)
InChIKey
NFPGZLVPTVWFSY-UHFFFAOYSA-N
Compound name
benzyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

239.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 153.7
[M+Na]+ 262.104968 158.3
[M-H]- 238.108474 155.2
[M+NH4]+ 257.149573 170.0
[M+K]+ 278.078908 156.7
[M+H-H2O]+ 222.113010 146.5
[M+HCOO]- 284.113951 176.8
[M+CH3COO]- 298.129601 189.5
[M+Na-2H]- 260.090416 158.8
[M]+ 239.11520142 156.2
[M]- 239.11629858 156.2
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