CID 522961

3-phenylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H13N
SMILES
C1C(CC1N)C2=CC=CC=C2
InChI
InChI=1S/C10H13N/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2
InChIKey
VJXKVDLXKYYYBX-UHFFFAOYSA-N
Compound name
3-phenylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

147.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 128.3
[M+Na]+ 170.09402 134.0
[M-H]- 146.09752 134.4
[M+NH4]+ 165.13862 142.7
[M+K]+ 186.06796 134.6
[M+H-H2O]+ 130.10206 117.0
[M+HCOO]- 192.10300 151.2
[M+CH3COO]- 206.11865 181.2
[M+Na-2H]- 168.07947 134.4
[M]+ 147.10425 133.1
[M]- 147.10535 133.1
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