CID 96635646

3-(4,5-dimethyl-1h-pyrrol-3-yl)propan-1-amine

Structural Information

Molecular Formula
C9H16N2
SMILES
CC1=C(NC=C1CCCN)C
InChI
InChI=1S/C9H16N2/c1-7-8(2)11-6-9(7)4-3-5-10/h6,11H,3-5,10H2,1-2H3
InChIKey
YYFQXGFCHVDBPR-UHFFFAOYSA-N
Compound name
3-(4,5-dimethyl-1H-pyrrol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.13135 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 134.9
[M+Na]+ 175.120568 142.8
[M-H]- 151.124074 135.6
[M+NH4]+ 170.165173 155.9
[M+K]+ 191.094508 139.7
[M+H-H2O]+ 135.128610 128.9
[M+HCOO]- 197.129551 157.7
[M+CH3COO]- 211.145201 177.8
[M+Na-2H]- 173.106016 138.1
[M]+ 152.13080142 133.1
[M]- 152.13189858 133.1
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.