CID 4404139

2-(2-methoxyphenyl)ethylisocyanide

Structural Information

Molecular Formula
C10H11NO
SMILES
COC1=CC=CC=C1CC[N+]#[C-]
InChI
InChI=1S/C10H11NO/c1-11-8-7-9-5-3-4-6-10(9)12-2/h3-6H,7-8H2,2H3
InChIKey
KKPPDBLMUINEIG-UHFFFAOYSA-N
Compound name
1-(2-isocyanoethyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 139.0
[M+Na]+ 184.07328 148.6
[M-H]- 160.07678 141.1
[M+NH4]+ 179.11788 157.1
[M+K]+ 200.04722 140.8
[M+H-H2O]+ 144.08132 131.6
[M+HCOO]- 206.08226 158.9
[M+CH3COO]- 220.09791 182.8
[M+Na-2H]- 182.05873 146.0
[M]+ 161.08351 132.6
[M]- 161.08461 132.6
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.