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]+ 247.14411 162.1
[M+Na]+ 269.12605 169.2
[M-H]- 245.12955 165.9
[M+NH4]+ 264.17065 177.7
[M+K]+ 285.09999 167.7
[M+H-H2O]+ 229.13409 148.7
[M+HCOO]- 291.13503 180.9
[M+CH3COO]- 305.15068 209.4
[M+Na-2H]- 267.11150 165.8
[M]+ 246.13628 159.5
[M]- 246.13738 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.