CID 365790

Nsc633865

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(C)(C#N)N(CCC1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C14H18N2O2/c1-14(2,11-15)16(13(17)18-3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKey
FDBPSZJIPIHYJU-UHFFFAOYSA-N
Compound name
methyl N-(2-cyanopropan-2-yl)-N-(2-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 162.1
[M+Na]+ 269.126048 169.2
[M-H]- 245.129554 165.9
[M+NH4]+ 264.170653 177.7
[M+K]+ 285.099988 167.7
[M+H-H2O]+ 229.134090 148.7
[M+HCOO]- 291.135031 180.9
[M+CH3COO]- 305.150681 209.4
[M+Na-2H]- 267.111496 165.8
[M]+ 246.13628142 159.5
[M]- 246.13737858 159.5
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.