CID 22236270

[(1r,4r)-4-[(methylamino)methyl]cyclohexyl]methanol

Structural Information

Molecular Formula
C9H19NO
SMILES
CNCC1CCC(CC1)CO
InChI
InChI=1S/C9H19NO/c1-10-6-8-2-4-9(7-11)5-3-8/h8-11H,2-7H2,1H3
InChIKey
UJARIIGRDCMOQX-UHFFFAOYSA-N
Compound name
[4-(methylaminomethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

157.14667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 136.9
[M+Na]+ 180.135888 140.8
[M-H]- 156.139394 138.2
[M+NH4]+ 175.180493 156.8
[M+K]+ 196.109828 139.1
[M+H-H2O]+ 140.143930 131.3
[M+HCOO]- 202.144871 156.8
[M+CH3COO]- 216.160521 177.8
[M+Na-2H]- 178.121336 141.1
[M]+ 157.14612142 131.6
[M]- 157.14721858 131.6
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

patents stripe