CID 94395

Pyrroline

Structural Information

Molecular Formula
C4H7N
SMILES
C1CNC=C1
InChI
InChI=1S/C4H7N/c1-2-4-5-3-1/h1,3,5H,2,4H2
InChIKey
RSEBUVRVKCANEP-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

174
References

60766
Patents

69.057846 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.065122 110.8
[M+Na]+ 92.047064 117.8
[M-H]- 68.050570 111.4
[M+NH4]+ 87.091669 134.6
[M+K]+ 108.02100 116.9
[M+H-H2O]+ 52.055106 105.3
[M+HCOO]- 114.05605 133.4
[M+CH3COO]- 128.07170 155.7
[M+Na-2H]- 90.032512 118.5
[M]+ 69.057297 106.3
[M]- 69.058395 106.3
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