CID 21719463

2-(2-aminopropan-2-yl)aniline

Structural Information

Molecular Formula
C9H14N2
SMILES
CC(C)(C1=CC=CC=C1N)N
InChI
InChI=1S/C9H14N2/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,10-11H2,1-2H3
InChIKey
MWUKUEYFFYQSQE-UHFFFAOYSA-N
Compound name
2-(2-aminopropan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

150.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 132.6
[M+Na]+ 173.104908 139.7
[M-H]- 149.108414 135.7
[M+NH4]+ 168.149513 153.1
[M+K]+ 189.078848 137.4
[M+H-H2O]+ 133.112950 127.2
[M+HCOO]- 195.113891 156.3
[M+CH3COO]- 209.129541 181.2
[M+Na-2H]- 171.090356 139.1
[M]+ 150.11514142 128.8
[M]- 150.11623858 128.8
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