CID 79803

1-pyrroline

Structural Information

Molecular Formula
C4H7N
SMILES
C1CC=NC1
InChI
InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2
InChIKey
ZVJHJDDKYZXRJI-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

199
References

99168
Patents

69.057846 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.065122 109.9
[M+Na]+ 92.047064 117.3
[M-H]- 68.050570 111.9
[M+NH4]+ 87.091669 134.5
[M+K]+ 108.02100 117.5
[M+H-H2O]+ 52.055106 104.2
[M+HCOO]- 114.05605 134.1
[M+CH3COO]- 128.07170 158.5
[M+Na-2H]- 90.032512 118.2
[M]+ 69.057297 107.4
[M]- 69.058395 107.4
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