CID 72207812

1427356-35-1

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2C1(CNC2)CO
InChI
InChI=1S/C6H11NO/c8-4-6-1-5(6)2-7-3-6/h5,7-8H,1-4H2
InChIKey
SEHVUORORNIEOB-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.1.0]hexan-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

113.08406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 125.4
[M+Na]+ 136.07328 135.1
[M-H]- 112.07678 126.9
[M+NH4]+ 131.11788 145.2
[M+K]+ 152.04722 132.1
[M+H-H2O]+ 96.081320 120.9
[M+HCOO]- 158.08226 144.3
[M+CH3COO]- 172.09791 166.3
[M+Na-2H]- 134.05873 132.7
[M]+ 113.08351 124.7
[M]- 113.08461 124.7
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

patents stripe