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]+ 268.154336 163.6
[M+Na]+ 290.136278 168.2
[M-H]- 266.139784 166.2
[M+NH4]+ 285.180883 179.3
[M+K]+ 306.110218 167.8
[M+H-H2O]+ 250.144320 156.3
[M+HCOO]- 312.145261 184.9
[M+CH3COO]- 326.160911 201.1
[M+Na-2H]- 288.121726 163.9
[M]+ 267.14651142 167.0
[M]- 267.14760858 167.0
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.