CID 122360934

1638767-26-6

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2(CC1(C2)N)CO
InChI
InChI=1S/C6H11NO/c7-6-1-5(2-6,3-6)4-8/h8H,1-4,7H2
InChIKey
UHSSZVLSEAEFTI-UHFFFAOYSA-N
Compound name
(3-amino-1-bicyclo[1.1.1]pentanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

113.08406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 145.4
[M+Na]+ 136.073278 149.3
[M-H]- 112.076784 147.6
[M+NH4]+ 131.117883 152.7
[M+K]+ 152.047218 154.7
[M+H-H2O]+ 96.081320 132.7
[M+HCOO]- 158.082261 158.4
[M+CH3COO]- 172.097911 199.9
[M+Na-2H]- 134.058726 152.3
[M]+ 113.08351142 167.9
[M]- 113.08460858 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