CID 20677488

2377031-98-4

Structural Information

Molecular Formula
C6H11N
SMILES
CCC=C1CNC1
InChI
InChI=1S/C6H11N/c1-2-3-6-4-7-5-6/h3,7H,2,4-5H2,1H3
InChIKey
LUTXKHZVFHPVLM-UHFFFAOYSA-N
Compound name
3-propylideneazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

97.08915 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 119.1
[M+Na]+ 120.07837 124.9
[M-H]- 96.081874 119.8
[M+NH4]+ 115.12297 134.1
[M+K]+ 136.05231 126.1
[M+H-H2O]+ 80.086410 109.1
[M+HCOO]- 142.08735 138.8
[M+CH3COO]- 156.10300 167.4
[M+Na-2H]- 118.06382 125.6
[M]+ 97.088601 124.1
[M]- 97.089699 124.1
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

patents stripe