CID 165757023

En300-1877680

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(CC#N)O
InChI
InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-11-6-4-10(5-7-11)12(17)8-9-15/h4-7,12,17H,8H2,1-3H3,(H,16,18)
InChIKey
OEDASVILPSIINM-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(2-cyano-1-hydroxyethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 166.7
[M+Na]+ 285.12096 173.7
[M-H]- 261.12446 168.4
[M+NH4]+ 280.16556 180.7
[M+K]+ 301.09490 171.6
[M+H-H2O]+ 245.12900 154.0
[M+HCOO]- 307.12994 183.0
[M+CH3COO]- 321.14559 207.2
[M+Na-2H]- 283.10641 168.8
[M]+ 262.13119 162.2
[M]- 262.13229 162.2
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.