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]+ 171.14918 140.8
[M+Na]+ 193.13112 145.4
[M-H]- 169.13462 138.5
[M+NH4]+ 188.17572 159.7
[M+K]+ 209.10506 142.3
[M+H-H2O]+ 153.13916 134.0
[M+HCOO]- 215.14010 154.7
[M+CH3COO]- 229.15575 173.5
[M+Na-2H]- 191.11657 143.6
[M]+ 170.14135 133.5
[M]- 170.14245 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.