CID 203587

14714-99-9

Structural Information

Molecular Formula
C10H17NO4
SMILES
CCCOCC(COCC#C)OC(=O)N
InChI
InChI=1S/C10H17NO4/c1-3-5-13-7-9(15-10(11)12)8-14-6-4-2/h1,9H,4-8H2,2H3,(H2,11,12)
InChIKey
FMFJBRWNOJKVJK-UHFFFAOYSA-N
Compound name
(1-propoxy-3-prop-2-ynoxypropan-2-yl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.11575 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 146.5
[M+Na]+ 238.10497 153.3
[M-H]- 214.10847 145.1
[M+NH4]+ 233.14957 162.4
[M+K]+ 254.07891 153.0
[M+H-H2O]+ 198.11301 134.6
[M+HCOO]- 260.11395 163.2
[M+CH3COO]- 274.12960 197.1
[M+Na-2H]- 236.09042 147.9
[M]+ 215.11520 144.8
[M]- 215.11630 144.8
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.