CID 2758768

1-ethoxy-4-isocyanobenzene

Structural Information

Molecular Formula
C9H9NO
SMILES
CCOC1=CC=C(C=C1)[N+]#[C-]
InChI
InChI=1S/C9H9NO/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7H,3H2,1H3
InChIKey
IHWIBHZFLANVOR-UHFFFAOYSA-N
Compound name
1-ethoxy-4-isocyanobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

147.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 134.8
[M+Na]+ 170.05764 144.8
[M-H]- 146.06114 137.1
[M+NH4]+ 165.10224 153.4
[M+K]+ 186.03158 137.2
[M+H-H2O]+ 130.06568 127.6
[M+HCOO]- 192.06662 155.0
[M+CH3COO]- 206.08227 180.1
[M+Na-2H]- 168.04309 142.3
[M]+ 147.06787 128.1
[M]- 147.06897 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe