CID 58530532

4-tert-butylpiperidin-3-ol hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)C1CCNCC1O
InChI
InChI=1S/C9H19NO/c1-9(2,3)7-4-5-10-6-8(7)11/h7-8,10-11H,4-6H2,1-3H3
InChIKey
MLSOMJXYSKJLAZ-UHFFFAOYSA-N
Compound name
4-tert-butylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 138.9
[M+Na]+ 180.13589 143.8
[M-H]- 156.13939 137.7
[M+NH4]+ 175.18049 157.4
[M+K]+ 196.10983 141.7
[M+H-H2O]+ 140.14393 133.8
[M+HCOO]- 202.14487 153.4
[M+CH3COO]- 216.16052 172.6
[M+Na-2H]- 178.12134 143.0
[M]+ 157.14612 132.5
[M]- 157.14722 132.5
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