CID 132327663

2-{octahydro-1h-pyrrolo[3,2-b]pyridin-4-yl}ethan-1-ol

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1CC2C(CCN2)N(C1)CCO
InChI
InChI=1S/C9H18N2O/c12-7-6-11-5-1-2-8-9(11)3-4-10-8/h8-10,12H,1-7H2
InChIKey
AZYQIKKOBZQFQS-UHFFFAOYSA-N
Compound name
2-(1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 140.8
[M+Na]+ 193.131118 145.4
[M-H]- 169.134624 138.5
[M+NH4]+ 188.175723 159.7
[M+K]+ 209.105058 142.3
[M+H-H2O]+ 153.139160 134.0
[M+HCOO]- 215.140101 154.7
[M+CH3COO]- 229.155751 173.5
[M+Na-2H]- 191.116566 143.6
[M]+ 170.14135142 133.5
[M]- 170.14244858 133.5
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

No patent data available for this compound.