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]+ 114.091336 123.2
[M+Na]+ 136.073278 128.9
[M-H]- 112.076784 122.1
[M+NH4]+ 131.117883 142.9
[M+K]+ 152.047218 126.8
[M+H-H2O]+ 96.081320 117.6
[M+HCOO]- 158.082261 141.7
[M+CH3COO]- 172.097911 162.3
[M+Na-2H]- 134.058726 130.0
[M]+ 113.08351142 117.3
[M]- 113.08460858 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