CID 14310

N-butylaniline

Structural Information

Molecular Formula
C10H15N
SMILES
CCCCNC1=CC=CC=C1
InChI
InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKey
VSHTWPWTCXQLQN-UHFFFAOYSA-N
Compound name
N-butylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

8085
Patents

149.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.3
[M+Na]+ 172.10967 138.5
[M-H]- 148.11317 135.6
[M+NH4]+ 167.15427 153.3
[M+K]+ 188.08361 136.3
[M+H-H2O]+ 132.11771 126.3
[M+HCOO]- 194.11865 157.6
[M+CH3COO]- 208.13430 179.3
[M+Na-2H]- 170.09512 140.4
[M]+ 149.11990 131.9
[M]- 149.12100 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