CID 55267776

3-(1,2,5-trimethyl-1h-pyrrol-3-yl)propan-1-amine

Structural Information

Molecular Formula
C10H18N2
SMILES
CC1=CC(=C(N1C)C)CCCN
InChI
InChI=1S/C10H18N2/c1-8-7-10(5-4-6-11)9(2)12(8)3/h7H,4-6,11H2,1-3H3
InChIKey
RXTUGOCSYFTTIS-UHFFFAOYSA-N
Compound name
3-(1,2,5-trimethylpyrrol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.147 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.15428 138.4
[M+Na]+ 189.13622 147.3
[M-H]- 165.13972 140.8
[M+NH4]+ 184.18082 160.0
[M+K]+ 205.11016 144.9
[M+H-H2O]+ 149.14426 132.4
[M+HCOO]- 211.14520 162.5
[M+CH3COO]- 225.16085 184.7
[M+Na-2H]- 187.12167 141.0
[M]+ 166.14645 139.3
[M]- 166.14755 139.3
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

No patent data available for this compound.