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

2
Patents

215.11575 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 146.5
[M+Na]+ 238.104968 153.3
[M-H]- 214.108474 145.1
[M+NH4]+ 233.149573 162.4
[M+K]+ 254.078908 153.0
[M+H-H2O]+ 198.113010 134.6
[M+HCOO]- 260.113951 163.2
[M+CH3COO]- 274.129601 197.1
[M+Na-2H]- 236.090416 147.9
[M]+ 215.11520142 144.8
[M]- 215.11629858 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

patents stripe