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]+ 139.12297 129.9
[M+Na]+ 161.10491 136.8
[M-H]- 137.10841 131.4
[M+NH4]+ 156.14951 151.5
[M+K]+ 177.07885 134.9
[M+H-H2O]+ 121.11295 123.2
[M+HCOO]- 183.11389 154.6
[M+CH3COO]- 197.12954 175.2
[M+Na-2H]- 159.09036 135.6
[M]+ 138.11514 128.9
[M]- 138.11624 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

No patent data available for this compound.