CID 56932113

(1r,2s,5s)-rel-3-azabicyclo[3.1.0]hexan-2-ylmethanol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1[C@H]2[C@@H]1[C@H](NC2)CO
InChI
InChI=1S/C6H11NO/c8-3-6-5-1-4(5)2-7-6/h4-8H,1-3H2/t4-,5-,6-/m1/s1
InChIKey
SFEYJTLKTWQWMB-HSUXUTPPSA-N
Compound name
[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 124.0
[M+Na]+ 136.07328 133.9
[M-H]- 112.07678 125.5
[M+NH4]+ 131.11788 142.2
[M+K]+ 152.04722 129.9
[M+H-H2O]+ 96.081320 118.8
[M+HCOO]- 158.08226 143.2
[M+CH3COO]- 172.09791 167.8
[M+Na-2H]- 134.05873 129.8
[M]+ 113.08351 123.2
[M]- 113.08461 123.2
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