CID 149107

94071-13-3

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)CCCCO
InChI
InChI=1S/C15H20N2O/c18-10-4-3-7-14-15-12(8-9-16-14)11-5-1-2-6-13(11)17-15/h1-2,5-6,14,16-18H,3-4,7-10H2
InChIKey
JGXRNUZQPOXGCW-UHFFFAOYSA-N
Compound name
4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 156.8
[M+Na]+ 267.146778 163.9
[M-H]- 243.150284 155.1
[M+NH4]+ 262.191383 173.6
[M+K]+ 283.120718 157.0
[M+H-H2O]+ 227.154820 149.7
[M+HCOO]- 289.155761 171.5
[M+CH3COO]- 303.171411 166.7
[M+Na-2H]- 265.132226 161.5
[M]+ 244.15701142 153.5
[M]- 244.15810858 153.5
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

No patent data available for this compound.