CID 18427220

2,3-epoxy-3-methylindoline

Structural Information

Molecular Formula
C9H9NO
SMILES
CC12C(O1)NC3=CC=CC=C23
InChI
InChI=1S/C9H9NO/c1-9-6-4-2-3-5-7(6)10-8(9)11-9/h2-5,8,10H,1H3
InChIKey
WHTZCVZCHNDLHB-UHFFFAOYSA-N
Compound name
6b-methyl-1a,2-dihydrooxireno[2,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

147.06842 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 131.1
[M+Na]+ 170.05764 143.4
[M-H]- 146.06114 135.9
[M+NH4]+ 165.10224 150.3
[M+K]+ 186.03158 140.7
[M+H-H2O]+ 130.06568 125.9
[M+HCOO]- 192.06662 150.7
[M+CH3COO]- 206.08227 145.3
[M+Na-2H]- 168.04309 140.9
[M]+ 147.06787 134.3
[M]- 147.06897 134.3
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.