CID 47674

65548-65-4

Structural Information

Molecular Formula
C13H18N2
SMILES
CC1=C(N2C=CC=CC2=C1)CCCNC
InChI
InChI=1S/C13H18N2/c1-11-10-12-6-3-4-9-15(12)13(11)7-5-8-14-2/h3-4,6,9-10,14H,5,7-8H2,1-2H3
InChIKey
TWNBNFVHULVIPG-UHFFFAOYSA-N
Compound name
N-methyl-3-(2-methylindolizin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

202.147 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 145.3
[M+Na]+ 225.136218 154.5
[M-H]- 201.139724 149.0
[M+NH4]+ 220.180823 166.4
[M+K]+ 241.110158 150.6
[M+H-H2O]+ 185.144260 138.5
[M+HCOO]- 247.145201 170.5
[M+CH3COO]- 261.160851 190.2
[M+Na-2H]- 223.121666 152.0
[M]+ 202.14645142 148.3
[M]- 202.14754858 148.3
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