CID 3087280

Cis-(+-)-6-(1h-indol-4-yl)-4-methyl-2-morpholineacetonitrile (e)-2-butenedioate

Structural Information

Molecular Formula
C15H17N3O
SMILES
CN1C[C@H](O[C@H](C1)C2=C3C=CNC3=CC=C2)CC#N
InChI
InChI=1S/C15H17N3O/c1-18-9-11(5-7-16)19-15(10-18)13-3-2-4-14-12(13)6-8-17-14/h2-4,6,8,11,15,17H,5,9-10H2,1H3/t11-,15-/m1/s1
InChIKey
GVLXQNXBOQBHAT-IAQYHMDHSA-N
Compound name
2-[(2R,6S)-6-(1H-indol-4-yl)-4-methylmorpholin-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 157.5
[M+Na]+ 278.12638 167.7
[M-H]- 254.12988 159.7
[M+NH4]+ 273.17098 170.8
[M+K]+ 294.10032 161.0
[M+H-H2O]+ 238.13442 142.3
[M+HCOO]- 300.13536 171.0
[M+CH3COO]- 314.15101 167.1
[M+Na-2H]- 276.11183 160.7
[M]+ 255.13661 150.7
[M]- 255.13771 150.7
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.