CID 131157976

3-(aminomethyl)bicyclo[1.1.1]pentan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2(CC1(C2)O)CN
InChI
InChI=1S/C6H11NO/c7-4-5-1-6(8,2-5)3-5/h8H,1-4,7H2
InChIKey
WYQKKRBHVXDDTB-UHFFFAOYSA-N
Compound name
3-(aminomethyl)bicyclo[1.1.1]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.08406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 145.4
[M+Na]+ 136.07328 149.3
[M-H]- 112.07678 147.6
[M+NH4]+ 131.11788 152.7
[M+K]+ 152.04722 154.7
[M+H-H2O]+ 96.081320 132.7
[M+HCOO]- 158.08226 158.4
[M+CH3COO]- 172.09791 199.9
[M+Na-2H]- 134.05873 152.3
[M]+ 113.08351 167.9
[M]- 113.08461 167.9
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