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]+ 153.13863 134.9
[M+Na]+ 175.12057 142.8
[M-H]- 151.12407 135.6
[M+NH4]+ 170.16517 155.9
[M+K]+ 191.09451 139.7
[M+H-H2O]+ 135.12861 128.9
[M+HCOO]- 197.12955 157.7
[M+CH3COO]- 211.14520 177.8
[M+Na-2H]- 173.10602 138.1
[M]+ 152.13080 133.1
[M]- 152.13190 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.