CID 66649330

6-(aminomethyl)spiro[2.5]octan-6-ol hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC12CCC(CC2)(CN)O
InChI
InChI=1S/C9H17NO/c10-7-9(11)5-3-8(1-2-8)4-6-9/h11H,1-7,10H2
InChIKey
RFXFHPIUKJZORB-UHFFFAOYSA-N
Compound name
6-(aminomethyl)spiro[2.5]octan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 134.7
[M+Na]+ 178.120228 142.1
[M-H]- 154.123734 139.4
[M+NH4]+ 173.164833 153.7
[M+K]+ 194.094168 140.7
[M+H-H2O]+ 138.128270 130.8
[M+HCOO]- 200.129211 153.7
[M+CH3COO]- 214.144861 177.8
[M+Na-2H]- 176.105676 141.9
[M]+ 155.13046142 131.4
[M]- 155.13155858 131.4
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