CID 55295072

1-cyclobutylprop-2-en-1-amine hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
C=CC(C1CCC1)N
InChI
InChI=1S/C7H13N/c1-2-7(8)6-4-3-5-6/h2,6-7H,1,3-5,8H2
InChIKey
GEOLBRQXIANOAG-UHFFFAOYSA-N
Compound name
1-cyclobutylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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 125.7
[M+Na]+ 134.09402 130.0
[M-H]- 110.09752 128.5
[M+NH4]+ 129.13862 141.2
[M+K]+ 150.06796 132.0
[M+H-H2O]+ 94.102060 115.3
[M+HCOO]- 156.10300 146.9
[M+CH3COO]- 170.11865 175.8
[M+Na-2H]- 132.07947 129.8
[M]+ 111.10425 129.9
[M]- 111.10535 129.9
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