CID 204420

16272-02-9

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC1=CC=CC=C1OCC(COCC#C)OC(=O)N
InChI
InChI=1S/C14H17NO4/c1-3-8-17-9-12(19-14(15)16)10-18-13-7-5-4-6-11(13)2/h1,4-7,12H,8-10H2,2H3,(H2,15,16)
InChIKey
OLOBJTSTQZVGGT-UHFFFAOYSA-N
Compound name
[1-(2-methylphenoxy)-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.8
[M+Na]+ 286.10497 169.1
[M+NH4]+ 281.14957 162.1
[M+K]+ 302.07891 161.3
[M-H]- 262.10847 152.2
[M+Na-2H]- 284.09042 160.7
[M]+ 263.11520 157.8
[M]- 263.11630 157.8
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.