CID 139022458

2344680-32-4

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CC1(CNC2)O
InChI
InChI=1S/C6H11NO/c8-6-1-5(2-6)3-7-4-6/h5,7-8H,1-4H2
InChIKey
LSSWTAXATYJJOT-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.1.1]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 131.6
[M+Na]+ 136.073278 136.8
[M-H]- 112.076784 127.2
[M+NH4]+ 131.117883 151.3
[M+K]+ 152.047218 137.6
[M+H-H2O]+ 96.081320 123.5
[M+HCOO]- 158.082261 142.5
[M+CH3COO]- 172.097911 142.4
[M+Na-2H]- 134.058726 143.5
[M]+ 113.08351142 138.8
[M]- 113.08460858 138.8
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