CID 142556931

2306425-76-1

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CC1(CN2)CO
InChI
InChI=1S/C6H11NO/c8-4-6-1-5(2-6)7-3-6/h5,7-8H,1-4H2
InChIKey
IXXBUEAWNGTYSS-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.1.1]hexan-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 129.4
[M+Na]+ 136.07328 135.8
[M-H]- 112.07678 127.1
[M+NH4]+ 131.11788 152.0
[M+K]+ 152.04722 136.2
[M+H-H2O]+ 96.081320 122.7
[M+HCOO]- 158.08226 144.9
[M+CH3COO]- 172.09791 141.7
[M+Na-2H]- 134.05873 137.6
[M]+ 113.08351 139.0
[M]- 113.08461 139.0
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