CID 54423964

2229435-12-3

Structural Information

Molecular Formula
C7H13N
SMILES
C=CCC1(CCC1)N
InChI
InChI=1S/C7H13N/c1-2-4-7(8)5-3-6-7/h2H,1,3-6,8H2
InChIKey
DTYCOBRGPYFLAL-UHFFFAOYSA-N
Compound name
1-prop-2-enylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 124.9
[M+Na]+ 134.094018 130.4
[M-H]- 110.097524 128.1
[M+NH4]+ 129.138623 142.5
[M+K]+ 150.067958 131.9
[M+H-H2O]+ 94.102060 116.0
[M+HCOO]- 156.103001 147.2
[M+CH3COO]- 170.118651 174.5
[M+Na-2H]- 132.079466 131.3
[M]+ 111.10425142 130.1
[M]- 111.10534858 130.1
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