CID 6421688

1(2h)-pyridineethanol, 3,6-dihydro-

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CN(CC=C1)CCO
InChI
InChI=1S/C7H13NO/c9-7-6-8-4-2-1-3-5-8/h1-2,9H,3-7H2
InChIKey
DSQFXKXMBMNHFV-UHFFFAOYSA-N
Compound name
2-(3,6-dihydro-2H-pyridin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

127.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.9
[M+Na]+ 150.08894 132.6
[M-H]- 126.09244 127.1
[M+NH4]+ 145.13354 146.9
[M+K]+ 166.06288 131.3
[M+H-H2O]+ 110.09698 120.9
[M+HCOO]- 172.09792 146.7
[M+CH3COO]- 186.11357 168.0
[M+Na-2H]- 148.07439 133.7
[M]+ 127.09917 123.3
[M]- 127.10027 123.3
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