CID 79006824

91562-29-7

Structural Information

Molecular Formula
C12H17N
SMILES
CCC1(CNC1)CC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-2-12(9-13-10-12)8-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey
FAGAKGIEJIYQNT-UHFFFAOYSA-N
Compound name
3-benzyl-3-ethylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.5
[M+Na]+ 198.125318 145.0
[M-H]- 174.128824 143.1
[M+NH4]+ 193.169923 153.2
[M+K]+ 214.099258 144.5
[M+H-H2O]+ 158.133360 128.4
[M+HCOO]- 220.134301 158.8
[M+CH3COO]- 234.149951 181.6
[M+Na-2H]- 196.110766 146.4
[M]+ 175.13555142 145.3
[M]- 175.13664858 145.3
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.