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

165
Patents

239.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 153.7
[M+Na]+ 262.10497 158.3
[M-H]- 238.10847 155.2
[M+NH4]+ 257.14957 170.0
[M+K]+ 278.07891 156.7
[M+H-H2O]+ 222.11301 146.5
[M+HCOO]- 284.11395 176.8
[M+CH3COO]- 298.12960 189.5
[M+Na-2H]- 260.09042 158.8
[M]+ 239.11520 156.2
[M]- 239.11630 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