CID 24265151

4-(1h-pyrrol-1-yl)butan-1-amine

Structural Information

Molecular Formula
C8H14N2
SMILES
C1=CN(C=C1)CCCCN
InChI
InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h3-4,7-8H,1-2,5-6,9H2
InChIKey
RWGKTLZPCHWPPK-UHFFFAOYSA-N
Compound name
4-pyrrol-1-ylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

138.11569 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 129.9
[M+Na]+ 161.104908 136.8
[M-H]- 137.108414 131.4
[M+NH4]+ 156.149513 151.5
[M+K]+ 177.078848 134.9
[M+H-H2O]+ 121.112950 123.2
[M+HCOO]- 183.113891 154.6
[M+CH3COO]- 197.129541 175.2
[M+Na-2H]- 159.090356 135.6
[M]+ 138.11514142 128.9
[M]- 138.11623858 128.9
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