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

52
Patents

150.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.6
[M+Na]+ 173.10491 139.7
[M-H]- 149.10841 135.7
[M+NH4]+ 168.14951 153.1
[M+K]+ 189.07885 137.4
[M+H-H2O]+ 133.11295 127.2
[M+HCOO]- 195.11389 156.3
[M+CH3COO]- 209.12954 181.2
[M+Na-2H]- 171.09036 139.1
[M]+ 150.11514 128.8
[M]- 150.11624 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