CID 83817551

2-isocyanato-1,5-dimethyl-1h-indole

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC1=CC2=C(C=C1)N(C(=C2)N=C=O)C
InChI
InChI=1S/C11H10N2O/c1-8-3-4-10-9(5-8)6-11(12-7-14)13(10)2/h3-6H,1-2H3
InChIKey
SYRSKDUZPULCGD-UHFFFAOYSA-N
Compound name
2-isocyanato-1,5-dimethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07932 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 136.4
[M+Na]+ 209.06854 148.5
[M-H]- 185.07204 142.4
[M+NH4]+ 204.11314 159.1
[M+K]+ 225.04248 145.3
[M+H-H2O]+ 169.07658 130.1
[M+HCOO]- 231.07752 164.4
[M+CH3COO]- 245.09317 187.6
[M+Na-2H]- 207.05399 144.1
[M]+ 186.07877 140.9
[M]- 186.07987 140.9
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.