CID 382326

Nsc669795

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC1CN(C2=C1C(=C(C(=C2)C)OC(=O)C)C)C(=O)C
InChI
InChI=1S/C15H19NO3/c1-8-6-13-14(9(2)7-16(13)11(4)17)10(3)15(8)19-12(5)18/h6,9H,7H2,1-5H3
InChIKey
GUWBLBZMTCXBOG-UHFFFAOYSA-N
Compound name
(1-acetyl-3,4,6-trimethyl-2,3-dihydroindol-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.1365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 159.1
[M+Na]+ 284.125718 168.8
[M-H]- 260.129224 163.2
[M+NH4]+ 279.170323 178.5
[M+K]+ 300.099658 166.5
[M+H-H2O]+ 244.133760 153.5
[M+HCOO]- 306.134701 178.6
[M+CH3COO]- 320.150351 200.6
[M+Na-2H]- 282.111166 158.3
[M]+ 261.13595142 163.3
[M]- 261.13704858 163.3
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

patents stripe