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]+ 142.122646 138.6
[M+Na]+ 164.104588 144.3
[M-H]- 140.108094 138.3
[M+NH4]+ 159.149193 161.6
[M+K]+ 180.078528 144.5
[M+H-H2O]+ 124.112630 132.1
[M+HCOO]- 186.113571 156.2
[M+CH3COO]- 200.129221 179.7
[M+Na-2H]- 162.090036 145.2
[M]+ 141.11482142 148.6
[M]- 141.11591858 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.