CID 115776

64048-52-8

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC(CCC(=O)C1=CC2=C(C=C1)NC=C2)CN
InChI
InChI=1S/C14H18N2O/c1-10(9-15)2-5-14(17)12-3-4-13-11(8-12)6-7-16-13/h3-4,6-8,10,16H,2,5,9,15H2,1H3
InChIKey
ZKCXMLHOSNHBEI-UHFFFAOYSA-N
Compound name
5-amino-1-(1H-indol-5-yl)-4-methylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 154.3
[M+Na]+ 253.13112 161.2
[M-H]- 229.13462 155.7
[M+NH4]+ 248.17572 172.6
[M+K]+ 269.10506 156.8
[M+H-H2O]+ 213.13916 147.4
[M+HCOO]- 275.14010 175.3
[M+CH3COO]- 289.15575 191.8
[M+Na-2H]- 251.11657 157.2
[M]+ 230.14135 153.7
[M]- 230.14245 153.7
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.