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]+ 255.097546 155.2
[M+Na]+ 277.079488 159.4
[M-H]- 253.082994 157.3
[M+NH4]+ 272.124093 170.2
[M+K]+ 293.053428 159.4
[M+H-H2O]+ 237.087530 147.5
[M+HCOO]- 299.088471 178.3
[M+CH3COO]- 313.104121 196.2
[M+Na-2H]- 275.064936 157.2
[M]+ 254.08972142 155.8
[M]- 254.09081858 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.