CID 68704589

N-methylspiro[2.5]octan-6-amine

Structural Information

Molecular Formula
C9H17N
SMILES
CNC1CCC2(CC1)CC2
InChI
InChI=1S/C9H17N/c1-10-8-2-4-9(5-3-8)6-7-9/h8,10H,2-7H2,1H3
InChIKey
HCXMNJZMVCNQBQ-UHFFFAOYSA-N
Compound name
N-methylspiro[2.5]octan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 130.9
[M+Na]+ 162.12532 137.8
[M-H]- 138.12882 137.0
[M+NH4]+ 157.16992 149.5
[M+K]+ 178.09926 136.5
[M+H-H2O]+ 122.13336 125.5
[M+HCOO]- 184.13430 152.2
[M+CH3COO]- 198.14995 179.2
[M+Na-2H]- 160.11077 138.4
[M]+ 139.13555 128.2
[M]- 139.13665 128.2
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