CID 3018083

2-isobutylaniline

Structural Information

Molecular Formula
C10H15N
SMILES
CC(C)CC1=CC=CC=C1N
InChI
InChI=1S/C10H15N/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6,8H,7,11H2,1-2H3
InChIKey
UCDCWSBXWOGCKR-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1072
Patents

149.12045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 133.2
[M+Na]+ 172.10967 140.0
[M-H]- 148.11317 136.5
[M+NH4]+ 167.15427 154.2
[M+K]+ 188.08361 138.0
[M+H-H2O]+ 132.11771 127.6
[M+HCOO]- 194.11865 156.8
[M+CH3COO]- 208.13430 180.5
[M+Na-2H]- 170.09512 138.2
[M]+ 149.11990 131.4
[M]- 149.12100 131.4
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