CID 54772607

3-cyclopropylbut-2-en-1-amine

Structural Information

Molecular Formula
C7H13N
SMILES
C/C(=C\CN)/C1CC1
InChI
InChI=1S/C7H13N/c1-6(4-5-8)7-2-3-7/h4,7H,2-3,5,8H2,1H3/b6-4+
InChIKey
SZBNBKLLXYCYES-GQCTYLIASA-N
Compound name
(E)-3-cyclopropylbut-2-en-1-amine
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 122.9
[M+Na]+ 134.09402 131.1
[M-H]- 110.09752 127.2
[M+NH4]+ 129.13862 140.5
[M+K]+ 150.06796 128.8
[M+H-H2O]+ 94.102060 117.3
[M+HCOO]- 156.10300 146.5
[M+CH3COO]- 170.11865 175.6
[M+Na-2H]- 132.07947 128.3
[M]+ 111.10425 122.7
[M]- 111.10535 122.7
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.