CID 421411

Bicyclo[2.2.1]heptan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
C1CC2(CCC1C2)N
InChI
InChI=1S/C7H13N/c8-7-3-1-6(5-7)2-4-7/h6H,1-5,8H2
InChIKey
VUFQYRAKSQTZEB-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

870
Patents

111.1048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 123.9
[M+Na]+ 134.09402 130.8
[M-H]- 110.09752 126.2
[M+NH4]+ 129.13862 153.0
[M+K]+ 150.06796 129.1
[M+H-H2O]+ 94.102060 119.9
[M+HCOO]- 156.10300 146.2
[M+CH3COO]- 170.11865 138.0
[M+Na-2H]- 132.07947 129.7
[M]+ 111.10425 119.4
[M]- 111.10535 119.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe