CID 95437037

1-isocyanato-4-(2-methoxyethoxy)benzene

Structural Information

Molecular Formula
C10H11NO3
SMILES
COCCOC1=CC=C(C=C1)N=C=O
InChI
InChI=1S/C10H11NO3/c1-13-6-7-14-10-4-2-9(3-5-10)11-8-12/h2-5H,6-7H2,1H3
InChIKey
LWLSUHMUZPAKHP-UHFFFAOYSA-N
Compound name
1-isocyanato-4-(2-methoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.0739 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 138.3
[M+Na]+ 216.063118 146.3
[M-H]- 192.066624 143.5
[M+NH4]+ 211.107723 158.3
[M+K]+ 232.037058 145.5
[M+H-H2O]+ 176.071160 131.7
[M+HCOO]- 238.072101 166.3
[M+CH3COO]- 252.087751 186.6
[M+Na-2H]- 214.048566 146.2
[M]+ 193.07335142 143.0
[M]- 193.07444858 143.0
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

patents stripe