CID 9816234

133846-05-6

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC#CCN(C)CC1=CC2=C(N1C)C=CC(=C2)O
InChI
InChI=1S/C15H18N2O/c1-4-5-8-16(2)11-13-9-12-10-14(18)6-7-15(12)17(13)3/h6-7,9-10,18H,8,11H2,1-3H3
InChIKey
VJSXYTMXFSBYDX-UHFFFAOYSA-N
Compound name
2-[[but-2-ynyl(methyl)amino]methyl]-1-methylindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

242.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.2
[M+Na]+ 265.13112 168.4
[M+NH4]+ 260.17572 160.7
[M+K]+ 281.10506 160.0
[M-H]- 241.13462 150.3
[M+Na-2H]- 263.11657 158.5
[M]+ 242.14135 155.4
[M]- 242.14245 155.4
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