CID 13437356

1-(1h-pyrrol-3-yl)propan-2-amine

Structural Information

Molecular Formula
C7H12N2
SMILES
CC(CC1=CNC=C1)N
InChI
InChI=1S/C7H12N2/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,9H,4,8H2,1H3
InChIKey
XMTHAWZPEGHZPK-UHFFFAOYSA-N
Compound name
1-(1H-pyrrol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

124.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 126.9
[M+Na]+ 147.08927 133.5
[M-H]- 123.09277 127.3
[M+NH4]+ 142.13387 148.3
[M+K]+ 163.06321 131.4
[M+H-H2O]+ 107.09731 120.7
[M+HCOO]- 169.09825 149.4
[M+CH3COO]- 183.11390 170.3
[M+Na-2H]- 145.07472 131.3
[M]+ 124.09950 122.9
[M]- 124.10060 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.