CID 56965536

1290627-95-0

Structural Information

Molecular Formula
C12H18N2O3
SMILES
C1=CC=C(C=C1)COC(=O)NCCOCCN
InChI
InChI=1S/C12H18N2O3/c13-6-8-16-9-7-14-12(15)17-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKey
DBYGAXCTXPTEJV-UHFFFAOYSA-N
Compound name
benzyl N-[2-(2-aminoethoxy)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

238.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.2
[M+Na]+ 261.120958 158.4
[M-H]- 237.124464 156.5
[M+NH4]+ 256.165563 170.6
[M+K]+ 277.094898 156.9
[M+H-H2O]+ 221.129000 146.5
[M+HCOO]- 283.129941 179.0
[M+CH3COO]- 297.145591 194.4
[M+Na-2H]- 259.106406 159.1
[M]+ 238.13119142 155.4
[M]- 238.13228858 155.4
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