CID 18997135

2361676-65-3

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNCC=C1CO
InChI
InChI=1S/C6H11NO/c8-5-6-1-3-7-4-2-6/h1,7-8H,2-5H2
InChIKey
SXOZNCXOAWUCPX-UHFFFAOYSA-N
Compound name
1,2,3,6-tetrahydropyridin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

113.08406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.2
[M+Na]+ 136.07328 128.9
[M-H]- 112.07678 122.1
[M+NH4]+ 131.11788 142.9
[M+K]+ 152.04722 126.8
[M+H-H2O]+ 96.081320 117.6
[M+HCOO]- 158.08226 141.7
[M+CH3COO]- 172.09791 162.3
[M+Na-2H]- 134.05873 130.0
[M]+ 113.08351 117.3
[M]- 113.08461 117.3
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