CID 79879157

3-(phenylmethylidene)azetidine hydrochloride

Structural Information

Molecular Formula
C10H11N
SMILES
C1C(=CC2=CC=CC=C2)CN1
InChI
InChI=1S/C10H11N/c1-2-4-9(5-3-1)6-10-7-11-8-10/h1-6,11H,7-8H2
InChIKey
YQAMJTBTZAPJQU-UHFFFAOYSA-N
Compound name
3-benzylideneazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

145.08914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 127.2
[M+Na]+ 168.07836 133.0
[M-H]- 144.08186 130.8
[M+NH4]+ 163.12296 140.1
[M+K]+ 184.05230 132.4
[M+H-H2O]+ 128.08640 115.7
[M+HCOO]- 190.08734 147.4
[M+CH3COO]- 204.10299 174.7
[M+Na-2H]- 166.06381 134.5
[M]+ 145.08859 131.3
[M]- 145.08969 131.3
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.