CID 75909

2-butylaniline

Structural Information

Molecular Formula
C10H15N
SMILES
CCCCC1=CC=CC=C1N
InChI
InChI=1S/C10H15N/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3
InChIKey
HDVUPIFFKAHPJY-UHFFFAOYSA-N
Compound name
2-butylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2586
Patents

149.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 132.6
[M+Na]+ 172.109668 139.7
[M-H]- 148.113174 135.8
[M+NH4]+ 167.154273 153.7
[M+K]+ 188.083608 137.2
[M+H-H2O]+ 132.117710 126.9
[M+HCOO]- 194.118651 157.3
[M+CH3COO]- 208.134301 179.6
[M+Na-2H]- 170.095116 138.9
[M]+ 149.11990142 131.5
[M]- 149.12099858 131.5
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