CID 138007642

6-(aminomethyl)spiro[3.4]octan-5-ol hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC2(C1)CCC(C2O)CN
InChI
InChI=1S/C9H17NO/c10-6-7-2-5-9(8(7)11)3-1-4-9/h7-8,11H,1-6,10H2
InChIKey
KLQMCEOOVRLUGR-UHFFFAOYSA-N
Compound name
7-(aminomethyl)spiro[3.4]octan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 133.3
[M+Na]+ 178.12023 137.8
[M-H]- 154.12373 137.0
[M+NH4]+ 173.16483 150.6
[M+K]+ 194.09417 138.3
[M+H-H2O]+ 138.12827 124.2
[M+HCOO]- 200.12921 152.8
[M+CH3COO]- 214.14486 178.4
[M+Na-2H]- 176.10568 136.7
[M]+ 155.13046 136.1
[M]- 155.13156 136.1
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

No patent data available for this compound.