CID 11804705

1-cyclopropylbut-3-en-1-aminehydrochloride

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

8
Patents

111.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 122.7
[M+Na]+ 134.09402 130.8
[M-H]- 110.09752 126.9
[M+NH4]+ 129.13862 140.2
[M+K]+ 150.06796 128.5
[M+H-H2O]+ 94.102060 117.0
[M+HCOO]- 156.10300 146.3
[M+CH3COO]- 170.11865 176.3
[M+Na-2H]- 132.07947 128.1
[M]+ 111.10425 122.5
[M]- 111.10535 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