CID 23290123

2408968-41-0

Structural Information

Molecular Formula
C8H17NO2
SMILES
C1CC(CCC1N)(CO)CO
InChI
InChI=1S/C8H17NO2/c9-7-1-3-8(5-10,6-11)4-2-7/h7,10-11H,1-6,9H2
InChIKey
BQLNDBGHJIRLJW-UHFFFAOYSA-N
Compound name
[4-amino-1-(hydroxymethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

159.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.2
[M+Na]+ 182.11515 141.0
[M-H]- 158.11865 136.0
[M+NH4]+ 177.15975 157.0
[M+K]+ 198.08909 139.0
[M+H-H2O]+ 142.12319 131.8
[M+HCOO]- 204.12413 154.4
[M+CH3COO]- 218.13978 173.2
[M+Na-2H]- 180.10060 140.6
[M]+ 159.12538 129.5
[M]- 159.12648 129.5
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