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

1
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

patents stripe