CID 45088741

4-(azetidin-1-yl)-2-methylaniline

Structural Information

Molecular Formula
C10H14N2
SMILES
CC1=C(C=CC(=C1)N2CCC2)N
InChI
InChI=1S/C10H14N2/c1-8-7-9(3-4-10(8)11)12-5-2-6-12/h3-4,7H,2,5-6,11H2,1H3
InChIKey
MOSQPXDQOSPHTN-UHFFFAOYSA-N
Compound name
4-(azetidin-1-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.122966 134.3
[M+Na]+ 185.104908 140.8
[M-H]- 161.108414 139.2
[M+NH4]+ 180.149513 147.0
[M+K]+ 201.078848 141.3
[M+H-H2O]+ 145.112950 122.0
[M+HCOO]- 207.113891 155.8
[M+CH3COO]- 221.129541 184.8
[M+Na-2H]- 183.090356 139.5
[M]+ 162.11514142 139.9
[M]- 162.11623858 139.9
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