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 161.2
[M+Na]+ 286.10497 168.8
[M-H]- 262.10847 162.3
[M+NH4]+ 281.14957 175.2
[M+K]+ 302.07891 166.1
[M+H-H2O]+ 246.11301 148.2
[M+HCOO]- 308.11395 177.9
[M+CH3COO]- 322.12960 204.8
[M+Na-2H]- 284.09042 162.0
[M]+ 263.11520 158.7
[M]- 263.11630 158.7
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.