CID 42059

Hsdb 2754

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCN(C1=CC=CC=C1)C(=O)OC(C)C
InChI
InChI=1S/C12H17NO2/c1-4-13(12(14)15-10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKey
SQDMLDRMYYGDGT-UHFFFAOYSA-N
Compound name
propan-2-yl N-ethyl-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.2
[M+Na]+ 230.11515 153.5
[M-H]- 206.11865 152.9
[M+NH4]+ 225.15975 167.3
[M+K]+ 246.08909 153.6
[M+H-H2O]+ 190.12319 141.4
[M+HCOO]- 252.12413 172.0
[M+CH3COO]- 266.13978 192.3
[M+Na-2H]- 228.10060 151.8
[M]+ 207.12538 150.5
[M]- 207.12648 150.5
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.