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]+ 140.143376 130.9
[M+Na]+ 162.125318 137.8
[M-H]- 138.128824 137.0
[M+NH4]+ 157.169923 149.5
[M+K]+ 178.099258 136.5
[M+H-H2O]+ 122.133360 125.5
[M+HCOO]- 184.134301 152.2
[M+CH3COO]- 198.149951 179.2
[M+Na-2H]- 160.110766 138.4
[M]+ 139.13555142 128.2
[M]- 139.13664858 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