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

7122
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 133.0
[M+Na]+ 172.10967 145.5
[M+NH4]+ 167.15427 142.6
[M+K]+ 188.08361 137.5
[M-H]- 148.11317 136.7
[M+Na-2H]- 170.09512 141.3
[M]+ 149.11990 135.8
[M]- 149.12100 135.8
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