CID 23641

1-ethyl-3-methyl-3-phenylazetidine

Structural Information

Molecular Formula
C12H17N
SMILES
CCN1CC(C1)(C)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-3-13-9-12(2,10-13)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKey
IBTFOUVBDTVISK-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 137.7
[M+Na]+ 198.125318 144.6
[M-H]- 174.128824 143.1
[M+NH4]+ 193.169923 152.5
[M+K]+ 214.099258 145.0
[M+H-H2O]+ 158.133360 126.7
[M+HCOO]- 220.134301 158.5
[M+CH3COO]- 234.149951 185.2
[M+Na-2H]- 196.110766 144.5
[M]+ 175.13555142 145.8
[M]- 175.13664858 145.8
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

patents stripe