CID 203548

14669-15-9

Structural Information

Molecular Formula
C14H17NO4
SMILES
C#CCOCC(COCC1=CC=CC=C1)OC(=O)N
InChI
InChI=1S/C14H17NO4/c1-2-8-17-10-13(19-14(15)16)11-18-9-12-6-4-3-5-7-12/h1,3-7,13H,8-11H2,(H2,15,16)
InChIKey
USSSRTPJQOMRMA-UHFFFAOYSA-N
Compound name
(1-phenylmethoxy-3-prop-2-ynoxypropan-2-yl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 161.7
[M+Na]+ 286.104968 168.5
[M-H]- 262.108474 162.3
[M+NH4]+ 281.149573 175.3
[M+K]+ 302.078908 165.6
[M+H-H2O]+ 246.113010 148.4
[M+HCOO]- 308.113951 178.3
[M+CH3COO]- 322.129601 203.7
[M+Na-2H]- 284.090416 163.1
[M]+ 263.11520142 158.8
[M]- 263.11629858 158.8
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.