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

17
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

literature stripe

Patent stripe

patents stripe