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]+ 114.091336 124.0
[M+Na]+ 136.073278 133.9
[M-H]- 112.076784 125.5
[M+NH4]+ 131.117883 142.2
[M+K]+ 152.047218 129.9
[M+H-H2O]+ 96.081320 118.8
[M+HCOO]- 158.082261 143.2
[M+CH3COO]- 172.097911 167.8
[M+Na-2H]- 134.058726 129.8
[M]+ 113.08351142 123.2
[M]- 113.08460858 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