CID 50998995

{spiro[2.5]octan-6-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C9H17N
SMILES
C1CC2(CCC1CN)CC2
InChI
InChI=1S/C9H17N/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7,10H2
InChIKey
JEDATJQHUZRDBE-UHFFFAOYSA-N
Compound name
spiro[2.5]octan-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

139.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 130.8
[M+Na]+ 162.12532 137.7
[M-H]- 138.12882 136.4
[M+NH4]+ 157.16992 149.2
[M+K]+ 178.09926 136.1
[M+H-H2O]+ 122.13336 125.5
[M+HCOO]- 184.13430 151.5
[M+CH3COO]- 198.14995 178.5
[M+Na-2H]- 160.11077 137.4
[M]+ 139.13555 127.2
[M]- 139.13665 127.2
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