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

17
Patents

238.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.2
[M+Na]+ 261.12096 158.4
[M-H]- 237.12446 156.5
[M+NH4]+ 256.16556 170.6
[M+K]+ 277.09490 156.9
[M+H-H2O]+ 221.12900 146.5
[M+HCOO]- 283.12994 179.0
[M+CH3COO]- 297.14559 194.4
[M+Na-2H]- 259.10641 159.1
[M]+ 238.13119 155.4
[M]- 238.13229 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