CID 47673

65548-63-2

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C(N2C=CC=CC2=C1)CCCN
InChI
InChI=1S/C12H16N2/c1-10-9-11-5-2-3-8-14(11)12(10)6-4-7-13/h2-3,5,8-9H,4,6-7,13H2,1H3
InChIKey
VIGVDDNNUNTJAW-UHFFFAOYSA-N
Compound name
3-(2-methylindolizin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.13135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 141.1
[M+Na]+ 211.120568 150.8
[M-H]- 187.124074 144.4
[M+NH4]+ 206.165173 162.5
[M+K]+ 227.094508 146.7
[M+H-H2O]+ 171.128610 134.6
[M+HCOO]- 233.129551 166.0
[M+CH3COO]- 247.145201 186.5
[M+Na-2H]- 209.106016 147.4
[M]+ 188.13080142 142.7
[M]- 188.13189858 142.7
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

patents stripe