CID 136373

N-(2-methylpropyl)aniline hydrochloride

Structural Information

Molecular Formula
C10H15N
SMILES
CC(C)CNC1=CC=CC=C1
InChI
InChI=1S/C10H15N/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey
GGARKJIWYNVMBF-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1258
Patents

149.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 133.1
[M+Na]+ 172.109668 138.9
[M-H]- 148.113174 136.5
[M+NH4]+ 167.154273 154.0
[M+K]+ 188.083608 137.2
[M+H-H2O]+ 132.117710 127.1
[M+HCOO]- 194.118651 157.3
[M+CH3COO]- 208.134301 180.1
[M+Na-2H]- 170.095116 139.8
[M]+ 149.11990142 131.9
[M]- 149.12099858 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe