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]+ 231.149176 154.3
[M+Na]+ 253.131118 161.2
[M-H]- 229.134624 155.7
[M+NH4]+ 248.175723 172.6
[M+K]+ 269.105058 156.8
[M+H-H2O]+ 213.139160 147.4
[M+HCOO]- 275.140101 175.3
[M+CH3COO]- 289.155751 191.8
[M+Na-2H]- 251.116566 157.2
[M]+ 230.14135142 153.7
[M]- 230.14244858 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.