CID 155821523

2445791-44-4

Structural Information

Molecular Formula
C7H13N
SMILES
CC1(CNC1)CC=C
InChI
InChI=1S/C7H13N/c1-3-4-7(2)5-8-6-7/h3,8H,1,4-6H2,2H3
InChIKey
QSSFAOKSOAMFAW-UHFFFAOYSA-N
Compound name
3-methyl-3-prop-2-enylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.1048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 124.8
[M+Na]+ 134.09402 130.9
[M-H]- 110.09752 125.7
[M+NH4]+ 129.13862 141.2
[M+K]+ 150.06796 131.9
[M+H-H2O]+ 94.102060 115.8
[M+HCOO]- 156.10300 144.1
[M+CH3COO]- 170.11865 170.6
[M+Na-2H]- 132.07947 131.7
[M]+ 111.10425 130.5
[M]- 111.10535 130.5
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.