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]+ 189.13863 141.1
[M+Na]+ 211.12057 150.8
[M-H]- 187.12407 144.4
[M+NH4]+ 206.16517 162.5
[M+K]+ 227.09451 146.7
[M+H-H2O]+ 171.12861 134.6
[M+HCOO]- 233.12955 166.0
[M+CH3COO]- 247.14520 186.5
[M+Na-2H]- 209.10602 147.4
[M]+ 188.13080 142.7
[M]- 188.13190 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