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

15
Patents

159.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 136.2
[M+Na]+ 182.115148 141.0
[M-H]- 158.118654 136.0
[M+NH4]+ 177.159753 157.0
[M+K]+ 198.089088 139.0
[M+H-H2O]+ 142.123190 131.8
[M+HCOO]- 204.124131 154.4
[M+CH3COO]- 218.139781 173.2
[M+Na-2H]- 180.100596 140.6
[M]+ 159.12538142 129.5
[M]- 159.12647858 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