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 165.3
[M+Na]+ 320.06600 173.9
[M-H]- 296.06950 166.5
[M+NH4]+ 315.11060 179.0
[M+K]+ 336.03994 169.2
[M+H-H2O]+ 280.07404 153.4
[M+HCOO]- 342.07498 178.2
[M+CH3COO]- 356.09063 208.0
[M+Na-2H]- 318.05145 166.0
[M]+ 297.07623 164.8
[M]- 297.07733 164.8
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.