CID 19019558

(5-methylpiperidin-3-yl)methanol

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1CC(CNC1)CO
InChI
InChI=1S/C7H15NO/c1-6-2-7(5-9)4-8-3-6/h6-9H,2-5H2,1H3
InChIKey
SSKKCWRWVKPDIA-UHFFFAOYSA-N
Compound name
(5-methylpiperidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

129.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.7
[M+Na]+ 152.104588 134.9
[M-H]- 128.108094 128.5
[M+NH4]+ 147.149193 149.0
[M+K]+ 168.078528 132.8
[M+H-H2O]+ 112.112630 124.1
[M+HCOO]- 174.113571 146.4
[M+CH3COO]- 188.129221 166.8
[M+Na-2H]- 150.090036 134.2
[M]+ 129.11482142 123.1
[M]- 129.11591858 123.1
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