CID 11804705

2758005-42-2

Structural Information

Molecular Formula
C7H13N
SMILES
C=CCC(C1CC1)N
InChI
InChI=1S/C7H13N/c1-2-3-7(8)6-4-5-6/h2,6-7H,1,3-5,8H2
InChIKey
BVFICIQGFJPRSD-UHFFFAOYSA-N
Compound name
1-cyclopropylbut-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

111.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 122.7
[M+Na]+ 134.094018 130.8
[M-H]- 110.097524 126.9
[M+NH4]+ 129.138623 140.2
[M+K]+ 150.067958 128.5
[M+H-H2O]+ 94.102060 117.0
[M+HCOO]- 156.103001 146.3
[M+CH3COO]- 170.118651 176.3
[M+Na-2H]- 132.079466 128.1
[M]+ 111.10425142 122.5
[M]- 111.10534858 122.5
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

patents stripe