CID 213003

1,3-propanediol, 2-phenoxy-, dicarbamate

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1=CC=C(C=C1)OC(COC(=O)N)COC(=O)N
InChI
InChI=1S/C11H14N2O5/c12-10(14)16-6-9(7-17-11(13)15)18-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
InChIKey
YCYZGSQKMQDBBO-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2-phenoxypropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09027 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 155.2
[M+Na]+ 277.07949 159.4
[M-H]- 253.08299 157.3
[M+NH4]+ 272.12409 170.2
[M+K]+ 293.05343 159.4
[M+H-H2O]+ 237.08753 147.5
[M+HCOO]- 299.08847 178.3
[M+CH3COO]- 313.10412 196.2
[M+Na-2H]- 275.06494 157.2
[M]+ 254.08972 155.8
[M]- 254.09082 155.8
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

No patent data available for this compound.