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]+ 187.086596 136.4
[M+Na]+ 209.068538 148.5
[M-H]- 185.072044 142.4
[M+NH4]+ 204.113143 159.1
[M+K]+ 225.042478 145.3
[M+H-H2O]+ 169.076580 130.1
[M+HCOO]- 231.077521 164.4
[M+CH3COO]- 245.093171 187.6
[M+Na-2H]- 207.053986 144.1
[M]+ 186.07877142 140.9
[M]- 186.07986858 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.