CID 93044827

Rac-[(1r,2s)-2-methoxycyclohexyl]methanamine hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
CO[C@@H]1CCCC[C@H]1CN
InChI
InChI=1S/C8H17NO/c1-10-8-5-3-2-4-7(8)6-9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKey
WVPRQUYUVMSVTI-JGVFFNPUSA-N
Compound name
[(1S,2R)-2-methoxycyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 132.3
[M+Na]+ 166.120228 137.1
[M-H]- 142.123734 134.7
[M+NH4]+ 161.164833 153.3
[M+K]+ 182.094168 136.2
[M+H-H2O]+ 126.128270 126.7
[M+HCOO]- 188.129211 153.4
[M+CH3COO]- 202.144861 176.7
[M+Na-2H]- 164.105676 136.5
[M]+ 143.13046142 127.6
[M]- 143.13155858 127.6
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.