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

8
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 129.4
[M+Na]+ 136.073278 135.8
[M-H]- 112.076784 127.1
[M+NH4]+ 131.117883 152.0
[M+K]+ 152.047218 136.2
[M+H-H2O]+ 96.081320 122.7
[M+HCOO]- 158.082261 144.9
[M+CH3COO]- 172.097911 141.7
[M+Na-2H]- 134.058726 137.6
[M]+ 113.08351142 139.0
[M]- 113.08460858 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