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 163.6
[M+Na]+ 290.13628 168.2
[M-H]- 266.13978 166.2
[M+NH4]+ 285.18088 179.3
[M+K]+ 306.11022 167.8
[M+H-H2O]+ 250.14432 156.3
[M+HCOO]- 312.14526 184.9
[M+CH3COO]- 326.16091 201.1
[M+Na-2H]- 288.12173 163.9
[M]+ 267.14651 167.0
[M]- 267.14761 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.