CID 82398610

3-(cyclohexylmethyl)oxan-4-amine hydrochloride

Structural Information

Molecular Formula
C12H23NO
SMILES
C1CCC(CC1)CC2COCCC2N
InChI
InChI=1S/C12H23NO/c13-12-6-7-14-9-11(12)8-10-4-2-1-3-5-10/h10-12H,1-9,13H2
InChIKey
SYAQYXGOECEOCF-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.17796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.18524 148.4
[M+Na]+ 220.16718 149.8
[M-H]- 196.17068 153.2
[M+NH4]+ 215.21178 165.2
[M+K]+ 236.14112 148.7
[M+H-H2O]+ 180.17522 141.2
[M+HCOO]- 242.17616 164.4
[M+CH3COO]- 256.19181 185.5
[M+Na-2H]- 218.15263 150.9
[M]+ 197.17741 138.8
[M]- 197.17851 138.8
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.