CID 203550

14669-17-1

Structural Information

Molecular Formula
C13H23NO4
SMILES
CCCCCCOCC(COCC#C)OC(=O)N
InChI
InChI=1S/C13H23NO4/c1-3-5-6-7-9-17-11-12(18-13(14)15)10-16-8-4-2/h2,12H,3,5-11H2,1H3,(H2,14,15)
InChIKey
XEAFYZGGCNRVDC-UHFFFAOYSA-N
Compound name
(1-hexoxy-3-prop-2-ynoxypropan-2-yl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 158.2
[M+Na]+ 280.15194 164.0
[M-H]- 256.15544 156.3
[M+NH4]+ 275.19654 172.6
[M+K]+ 296.12588 163.0
[M+H-H2O]+ 240.15998 145.9
[M+HCOO]- 302.16092 174.0
[M+CH3COO]- 316.17657 205.1
[M+Na-2H]- 278.13739 158.3
[M]+ 257.16217 157.6
[M]- 257.16327 157.6
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.