CID 22496626

3-methylpiperidin-3-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CCCNC1)O
InChI
InChI=1S/C6H13NO/c1-6(8)3-2-4-7-5-6/h7-8H,2-5H2,1H3
InChIKey
LLDKGUNKYFJNPV-UHFFFAOYSA-N
Compound name
3-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.4
[M+Na]+ 138.08894 131.0
[M-H]- 114.09244 124.5
[M+NH4]+ 133.13354 147.1
[M+K]+ 154.06288 129.5
[M+H-H2O]+ 98.096980 120.7
[M+HCOO]- 160.09792 142.5
[M+CH3COO]- 174.11357 162.2
[M+Na-2H]- 136.07439 132.2
[M]+ 115.09917 118.4
[M]- 115.10027 118.4
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