CID 59393608

3-amino-3-methyl-n-benzylazetidine

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1(CN(C1)CC2=CC=CC=C2)N
InChI
InChI=1S/C11H16N2/c1-11(12)8-13(9-11)7-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3
InChIKey
CDANDELGCYKWGP-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylazetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

176.13135 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 140.1
[M+Na]+ 199.120568 146.2
[M-H]- 175.124074 144.9
[M+NH4]+ 194.165173 154.0
[M+K]+ 215.094508 146.5
[M+H-H2O]+ 159.128610 128.4
[M+HCOO]- 221.129551 161.4
[M+CH3COO]- 235.145201 186.2
[M+Na-2H]- 197.106016 146.4
[M]+ 176.13080142 146.0
[M]- 176.13189858 146.0
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