CID 7630

1-cyclohexylamino-2-propanol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(CNC1CCCCC1)O
InChI
InChI=1S/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3
InChIKey
HFHPBMVMXFZJNO-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

369
Patents

157.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.8
[M+Na]+ 180.135888 140.4
[M-H]- 156.139394 138.7
[M+NH4]+ 175.180493 157.3
[M+K]+ 196.109828 139.2
[M+H-H2O]+ 140.143930 132.0
[M+HCOO]- 202.144871 156.6
[M+CH3COO]- 216.160521 177.5
[M+Na-2H]- 178.121336 141.4
[M]+ 157.14612142 131.4
[M]- 157.14721858 131.4
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