CID 47211

1-isopropoxy-3-(o-tolyloxy)-2-propanol carbamate

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC1=CC=CC=C1OCC(COC(C)C)OC(=O)N
InChI
InChI=1S/C14H21NO4/c1-10(2)17-8-12(19-14(15)16)9-18-13-7-5-4-6-11(13)3/h4-7,10,12H,8-9H2,1-3H3,(H2,15,16)
InChIKey
DZJTUNPUCLMFDQ-UHFFFAOYSA-N
Compound name
[1-(2-methylphenoxy)-3-propan-2-yloxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 162.5
[M+Na]+ 290.13628 171.3
[M+NH4]+ 285.18088 168.2
[M+K]+ 306.11022 167.4
[M-H]- 266.13978 162.9
[M+Na-2H]- 288.12173 165.9
[M]+ 267.14651 163.5
[M]- 267.14761 163.5
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.