CID 136589503

2219376-43-7

Structural Information

Molecular Formula
C7H13NO
SMILES
C1[C@@H]2CNC[C@@H]2[C@@H]1CO
InChI
InChI=1S/C7H13NO/c9-4-6-1-5-2-8-3-7(5)6/h5-9H,1-4H2/t5-,6+,7+/m1/s1
InChIKey
BINFFXLFEOUHQZ-VQVTYTSYSA-N
Compound name
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
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]+ 128.106996 124.4
[M+Na]+ 150.088938 129.9
[M-H]- 126.092444 124.6
[M+NH4]+ 145.133543 140.3
[M+K]+ 166.062878 130.5
[M+H-H2O]+ 110.096980 114.8
[M+HCOO]- 172.097921 141.5
[M+CH3COO]- 186.113571 170.2
[M+Na-2H]- 148.074386 129.0
[M]+ 127.09917142 128.6
[M]- 127.10026858 128.6
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.