CID 5355723

6301-17-3

Structural Information

Molecular Formula
C14H19NO2
SMILES
C/C=C/CN(C1=CC=CC=C1)C(=O)OC(C)C
InChI
InChI=1S/C14H19NO2/c1-4-5-11-15(14(16)17-12(2)3)13-9-7-6-8-10-13/h4-10,12H,11H2,1-3H3/b5-4+
InChIKey
HHHUJISGAQTKKJ-SNAWJCMRSA-N
Compound name
propan-2-yl N-[(E)-but-2-enyl]-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 156.4
[M+Na]+ 256.13081 161.2
[M-H]- 232.13431 160.8
[M+NH4]+ 251.17541 174.5
[M+K]+ 272.10475 160.2
[M+H-H2O]+ 216.13885 149.3
[M+HCOO]- 278.13979 179.7
[M+CH3COO]- 292.15544 196.7
[M+Na-2H]- 254.11626 158.9
[M]+ 233.14104 158.6
[M]- 233.14214 158.6
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.