CID 23559485

(1-isopropylpiperidin-3-yl)methanol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)N1CCCC(C1)CO
InChI
InChI=1S/C9H19NO/c1-8(2)10-5-3-4-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3
InChIKey
LZXLHLSTUPFULX-UHFFFAOYSA-N
Compound name
(1-propan-2-ylpiperidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

157.14667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 138.1
[M+Na]+ 180.135888 142.6
[M-H]- 156.139394 138.0
[M+NH4]+ 175.180493 157.0
[M+K]+ 196.109828 141.4
[M+H-H2O]+ 140.143930 132.0
[M+HCOO]- 202.144871 154.6
[M+CH3COO]- 216.160521 176.4
[M+Na-2H]- 178.121336 140.8
[M]+ 157.14612142 133.4
[M]- 157.14721858 133.4
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