CID 407808

2243507-83-5

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C1CCCCN1C)O
InChI
InChI=1S/C9H19NO/c1-9(2,11)8-6-4-5-7-10(8)3/h8,11H,4-7H2,1-3H3
InChIKey
PRQUQLLKNBALCZ-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 137.7
[M+Na]+ 180.135888 143.0
[M-H]- 156.139394 138.0
[M+NH4]+ 175.180493 156.9
[M+K]+ 196.109828 141.8
[M+H-H2O]+ 140.143930 132.3
[M+HCOO]- 202.144871 153.8
[M+CH3COO]- 216.160521 175.9
[M+Na-2H]- 178.121336 142.4
[M]+ 157.14612142 133.3
[M]- 157.14721858 133.3
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