CID 13362458

3-pyridinemethanol, 1,2,5,6-tetrahydro-1,4-dimethyl-

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1=C(CN(CC1)C)CO
InChI
InChI=1S/C8H15NO/c1-7-3-4-9(2)5-8(7)6-10/h10H,3-6H2,1-2H3
InChIKey
VFIXKLQRWCHBNQ-UHFFFAOYSA-N
Compound name
(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.11537 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 130.7
[M+Na]+ 164.10459 138.0
[M-H]- 140.10809 131.6
[M+NH4]+ 159.14919 150.8
[M+K]+ 180.07853 136.4
[M+H-H2O]+ 124.11263 125.1
[M+HCOO]- 186.11357 150.1
[M+CH3COO]- 200.12922 173.3
[M+Na-2H]- 162.09004 135.6
[M]+ 141.11482 128.2
[M]- 141.11592 128.2
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