CID 165950611

[1-(aminomethyl)bicyclo[2.1.1]hexan-2-yl]methanol hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
C1C2CC(C2)(C1CO)CN
InChI
InChI=1S/C8H15NO/c9-5-8-2-6(3-8)1-7(8)4-10/h6-7,10H,1-5,9H2
InChIKey
LTKGCNKEONYLRE-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-2-bicyclo[2.1.1]hexanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 138.6
[M+Na]+ 164.10459 144.3
[M-H]- 140.10809 138.3
[M+NH4]+ 159.14919 161.6
[M+K]+ 180.07853 144.5
[M+H-H2O]+ 124.11263 132.1
[M+HCOO]- 186.11357 156.2
[M+CH3COO]- 200.12922 179.7
[M+Na-2H]- 162.09004 145.2
[M]+ 141.11482 148.6
[M]- 141.11592 148.6
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.