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]+ 262.14378 159.1
[M+Na]+ 284.12572 168.8
[M-H]- 260.12922 163.2
[M+NH4]+ 279.17032 178.5
[M+K]+ 300.09966 166.5
[M+H-H2O]+ 244.13376 153.5
[M+HCOO]- 306.13470 178.6
[M+CH3COO]- 320.15035 200.6
[M+Na-2H]- 282.11117 158.3
[M]+ 261.13595 163.3
[M]- 261.13705 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