CID 24971789

N-phenylazetidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H12N2
SMILES
C1C(CN1)NC2=CC=CC=C2
InChI
InChI=1S/C9H12N2/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9-11H,6-7H2
InChIKey
KVYJEZOOWNNACE-UHFFFAOYSA-N
Compound name
N-phenylazetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

148.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 128.5
[M+Na]+ 171.08927 133.2
[M-H]- 147.09277 132.0
[M+NH4]+ 166.13387 140.7
[M+K]+ 187.06321 133.4
[M+H-H2O]+ 131.09731 116.2
[M+HCOO]- 193.09825 149.6
[M+CH3COO]- 207.11390 177.9
[M+Na-2H]- 169.07472 136.4
[M]+ 148.09950 132.2
[M]- 148.10060 132.2
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.