CID 165916660

1-[4-(azetidin-3-yl)phenyl]methanamine dihydrochloride

Structural Information

Molecular Formula
C10H14N2
SMILES
C1C(CN1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C10H14N2/c11-5-8-1-3-9(4-2-8)10-6-12-7-10/h1-4,10,12H,5-7,11H2
InChIKey
CRTVODIMGFGMAD-UHFFFAOYSA-N
Compound name
[4-(azetidin-3-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

162.11569 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 134.9
[M+Na]+ 185.10491 140.1
[M-H]- 161.10841 138.1
[M+NH4]+ 180.14951 146.7
[M+K]+ 201.07885 139.7
[M+H-H2O]+ 145.11295 122.6
[M+HCOO]- 207.11389 155.0
[M+CH3COO]- 221.12954 181.2
[M+Na-2H]- 183.09036 140.4
[M]+ 162.11514 138.4
[M]- 162.11624 138.4
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.