CID 55268254

3-(1h-indol-5-yl)propan-1-amine

Structural Information

Molecular Formula
C11H14N2
SMILES
C1=CC2=C(C=CN2)C=C1CCCN
InChI
InChI=1S/C11H14N2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h3-5,7-8,13H,1-2,6,12H2
InChIKey
VKEHESNSRNDKHR-UHFFFAOYSA-N
Compound name
3-(1H-indol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 136.4
[M+Na]+ 197.10491 145.2
[M-H]- 173.10841 138.2
[M+NH4]+ 192.14951 157.4
[M+K]+ 213.07885 140.5
[M+H-H2O]+ 157.11295 130.1
[M+HCOO]- 219.11389 160.2
[M+CH3COO]- 233.12954 149.7
[M+Na-2H]- 195.09036 143.6
[M]+ 174.11514 135.4
[M]- 174.11624 135.4
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