CID 10351656

N,n-dimethylazetidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C5H12N2
SMILES
CN(C)C1CNC1
InChI
InChI=1S/C5H12N2/c1-7(2)5-3-6-4-5/h5-6H,3-4H2,1-2H3
InChIKey
IRQWCOFOSMREBQ-UHFFFAOYSA-N
Compound name
N,N-dimethylazetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1791
Patents

100.10005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 121.5
[M+Na]+ 123.08927 126.3
[M-H]- 99.092774 123.5
[M+NH4]+ 118.13387 136.5
[M+K]+ 139.06321 129.7
[M+H-H2O]+ 83.097310 110.3
[M+HCOO]- 145.09825 142.5
[M+CH3COO]- 159.11390 174.0
[M+Na-2H]- 121.07472 127.6
[M]+ 100.09950 127.2
[M]- 100.10060 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe