CID 203549

14669-16-0

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)CCOCC(COCC#C)OC(=O)N
InChI
InChI=1S/C12H21NO4/c1-4-6-15-8-11(17-12(13)14)9-16-7-5-10(2)3/h1,10-11H,5-9H2,2-3H3,(H2,13,14)
InChIKey
ITQPPKKJHAQGGX-UHFFFAOYSA-N
Compound name
[1-(3-methylbutoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 155.2
[M+Na]+ 266.13628 161.6
[M+NH4]+ 261.18088 156.6
[M+K]+ 282.11022 155.4
[M-H]- 242.13978 145.0
[M+Na-2H]- 264.12173 152.8
[M]+ 243.14651 151.9
[M]- 243.14761 151.9
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.