CID 72207608

2007916-47-2

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C2CNCC1C2CO
InChI
InChI=1S/C7H13NO/c9-4-7-5-1-6(7)3-8-2-5/h5-9H,1-4H2
InChIKey
FXHPICDADPQABN-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.1.1]heptan-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 133.4
[M+Na]+ 150.08894 137.9
[M-H]- 126.09244 128.7
[M+NH4]+ 145.13354 150.8
[M+K]+ 166.06288 138.8
[M+H-H2O]+ 110.09698 124.8
[M+HCOO]- 172.09792 144.0
[M+CH3COO]- 186.11357 143.7
[M+Na-2H]- 148.07439 143.5
[M]+ 127.09917 141.0
[M]- 127.10027 141.0
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

No patent data available for this compound.