CID 164633

Sedridine

Structural Information

Molecular Formula
C8H17NO
SMILES
C[C@@H](C[C@@H]1CCCCN1)O
InChI
InChI=1S/C8H17NO/c1-7(10)6-8-4-2-3-5-9-8/h7-10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKey
GFKFBLJVPWRDEL-YUMQZZPRSA-N
Compound name
(2S)-1-[(2S)-piperidin-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

24
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.8
[M+Na]+ 166.120228 138.3
[M-H]- 142.123734 133.1
[M+NH4]+ 161.164833 153.2
[M+K]+ 182.094168 136.5
[M+H-H2O]+ 126.128270 128.8
[M+HCOO]- 188.129211 150.1
[M+CH3COO]- 202.144861 169.6
[M+Na-2H]- 164.105676 138.2
[M]+ 143.13046142 127.5
[M]- 143.13155858 127.5
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