CID 53399564

1-(azetidin-3-yl)-1h-pyrrole hydrochloride

Structural Information

Molecular Formula
C7H10N2
SMILES
C1C(CN1)N2C=CC=C2
InChI
InChI=1S/C7H10N2/c1-2-4-9(3-1)7-5-8-6-7/h1-4,7-8H,5-6H2
InChIKey
IXBYVUWZZBDMKG-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 120.3
[M+Na]+ 145.07362 126.6
[M-H]- 121.07712 122.8
[M+NH4]+ 140.11822 134.4
[M+K]+ 161.04756 127.4
[M+H-H2O]+ 105.08166 108.6
[M+HCOO]- 167.08260 140.5
[M+CH3COO]- 181.09825 170.2
[M+Na-2H]- 143.05907 126.5
[M]+ 122.08385 125.3
[M]- 122.08495 125.3
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.