CID 248806

94-88-2

Structural Information

Molecular Formula
C9H19NO
SMILES
CC1CCCCN1CCCO
InChI
InChI=1S/C9H19NO/c1-9-5-2-3-6-10(9)7-4-8-11/h9,11H,2-8H2,1H3
InChIKey
JNSUUJLFWBSBME-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

157.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.8
[M+Na]+ 180.135888 142.6
[M-H]- 156.139394 137.7
[M+NH4]+ 175.180493 156.8
[M+K]+ 196.109828 141.0
[M+H-H2O]+ 140.143930 131.6
[M+HCOO]- 202.144871 155.4
[M+CH3COO]- 216.160521 175.5
[M+Na-2H]- 178.121336 141.8
[M]+ 157.14612142 133.9
[M]- 157.14721858 133.9
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