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

0
Patents

193.0739 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 138.3
[M+Na]+ 216.06312 146.3
[M-H]- 192.06662 143.5
[M+NH4]+ 211.10772 158.3
[M+K]+ 232.03706 145.5
[M+H-H2O]+ 176.07116 131.7
[M+HCOO]- 238.07210 166.3
[M+CH3COO]- 252.08775 186.6
[M+Na-2H]- 214.04857 146.2
[M]+ 193.07335 143.0
[M]- 193.07445 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

No patent data available for this compound.