CID 213379

2-propanol, 1-(p-chlorobenzyloxy)-3-(2-propynyloxy)-, carbamate

Structural Information

Molecular Formula
C14H16ClNO4
SMILES
C#CCOCC(COCC1=CC=C(C=C1)Cl)OC(=O)N
InChI
InChI=1S/C14H16ClNO4/c1-2-7-18-9-13(20-14(16)17)10-19-8-11-3-5-12(15)6-4-11/h1,3-6,13H,7-10H2,(H2,16,17)
InChIKey
XUHAUNZHOUEFOS-UHFFFAOYSA-N
Compound name
[1-[(4-chlorophenyl)methoxy]-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08406 162.6
[M+Na]+ 320.06600 172.7
[M+NH4]+ 315.11060 165.3
[M+K]+ 336.03994 164.3
[M-H]- 296.06950 155.2
[M+Na-2H]- 318.05145 163.8
[M]+ 297.07623 161.1
[M]- 297.07733 161.1
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.