CID 21973736

3,3-dimethylpiperidin-4-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(CNCCC1O)C
InChI
InChI=1S/C7H15NO/c1-7(2)5-8-4-3-6(7)9/h6,8-9H,3-5H2,1-2H3
InChIKey
ZCCBPOMEIUZJMR-UHFFFAOYSA-N
Compound name
3,3-dimethylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.2
[M+Na]+ 152.104588 135.3
[M-H]- 128.108094 128.4
[M+NH4]+ 147.149193 150.6
[M+K]+ 168.078528 133.6
[M+H-H2O]+ 112.112630 124.6
[M+HCOO]- 174.113571 145.9
[M+CH3COO]- 188.129221 166.4
[M+Na-2H]- 150.090036 134.8
[M]+ 129.11482142 122.9
[M]- 129.11591858 122.9
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