CID 167729373

En300-43608064

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CNC[C@@H]2[C@H]1[C@H]2CO
InChI
InChI=1S/C7H13NO/c9-4-7-5-1-2-8-3-6(5)7/h5-9H,1-4H2/t5-,6+,7+/m0/s1
InChIKey
JMRSEYSXJOYNJL-RRKCRQDMSA-N
Compound name
[(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-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]+ 128.10700 129.2
[M+Na]+ 150.08894 137.6
[M-H]- 126.09244 130.3
[M+NH4]+ 145.13354 145.0
[M+K]+ 166.06288 133.9
[M+H-H2O]+ 110.09698 123.4
[M+HCOO]- 172.09792 146.2
[M+CH3COO]- 186.11357 170.9
[M+Na-2H]- 148.07439 135.7
[M]+ 127.09917 126.7
[M]- 127.10027 126.7
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.