CID 83915351

3-isocyanato-5-methoxy-1h-indole

Structural Information

Molecular Formula
C10H8N2O2
SMILES
COC1=CC2=C(C=C1)NC=C2N=C=O
InChI
InChI=1S/C10H8N2O2/c1-14-7-2-3-9-8(4-7)10(5-11-9)12-6-13/h2-5,11H,1H3
InChIKey
AHOXRRDAWONAMX-UHFFFAOYSA-N
Compound name
3-isocyanato-5-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05858 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 135.5
[M+Na]+ 211.04780 146.4
[M-H]- 187.05130 139.8
[M+NH4]+ 206.09240 156.9
[M+K]+ 227.02174 143.1
[M+H-H2O]+ 171.05584 129.1
[M+HCOO]- 233.05678 162.5
[M+CH3COO]- 247.07243 182.9
[M+Na-2H]- 209.03325 143.9
[M]+ 188.05803 138.7
[M]- 188.05913 138.7
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.