CID 129322320

2095192-32-6

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CN[C@H]2[C@@H]1[C@H](C2)O
InChI
InChI=1S/C6H11NO/c8-6-3-5-4(6)1-2-7-5/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKey
VQIILGJJJQKLPC-PBXRRBTRSA-N
Compound name
(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 119.7
[M+Na]+ 136.073278 125.6
[M-H]- 112.076784 120.1
[M+NH4]+ 131.117883 136.2
[M+K]+ 152.047218 126.5
[M+H-H2O]+ 96.081320 110.3
[M+HCOO]- 158.082261 137.2
[M+CH3COO]- 172.097911 167.2
[M+Na-2H]- 134.058726 124.8
[M]+ 113.08351142 123.6
[M]- 113.08460858 123.6
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.