CID 12847193

Rac-(1r,2r)-2-(methylamino)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
CN[C@@H]1CCCC[C@H]1O
InChI
InChI=1S/C7H15NO/c1-8-6-4-2-3-5-7(6)9/h6-9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey
HILGAVODIXBHHR-RNFRBKRXSA-N
Compound name
trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 127.8
[M+Na]+ 152.104588 132.6
[M-H]- 128.108094 129.5
[M+NH4]+ 147.149193 148.9
[M+K]+ 168.078528 131.4
[M+H-H2O]+ 112.112630 122.7
[M+HCOO]- 174.113571 148.4
[M+CH3COO]- 188.129221 171.6
[M+Na-2H]- 150.090036 133.2
[M]+ 129.11482142 121.8
[M]- 129.11591858 121.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe