CID 15713442

(1r,5s,6r)-3-azabicyclo[3.1.0]hexan-6-ylmethanol

Structural Information

Molecular Formula
C6H11NO
SMILES
C1[C@@H]2[C@@H](C2CO)CN1
InChI
InChI=1S/C6H11NO/c8-3-6-4-1-7-2-5(4)6/h4-8H,1-3H2/t4-,5+,6?
InChIKey
YGYOQZPGFXHQMW-XEAPYIEGSA-N
Compound name
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

113.08406 Da
Monoisotopic Mass

-0.6
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

literature stripe

Patent stripe

patents stripe