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

literature stripe

Patent stripe

patents stripe