CID 22292227

Bicyclo[2.2.1]hept-2-en-1-amine

Structural Information

Molecular Formula
C7H11N
SMILES
C1CC2(CC1C=C2)N
InChI
InChI=1S/C7H11N/c8-7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5,8H2
InChIKey
AYWZMOHWFNTOCH-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

109.08915 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 121.8
[M+Na]+ 132.07837 129.8
[M-H]- 108.08187 124.6
[M+NH4]+ 127.12297 151.1
[M+K]+ 148.05231 127.9
[M+H-H2O]+ 92.086410 117.9
[M+HCOO]- 154.08735 145.7
[M+CH3COO]- 168.10300 136.6
[M+Na-2H]- 130.06382 128.7
[M]+ 109.08860 118.9
[M]- 109.08970 118.9
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