CID 103412

N-butyl-2-methoxyaniline

Structural Information

Molecular Formula
C11H17NO
SMILES
CCCCNC1=CC=CC=C1OC
InChI
InChI=1S/C11H17NO/c1-3-4-9-12-10-7-5-6-8-11(10)13-2/h5-8,12H,3-4,9H2,1-2H3
InChIKey
KLBGDUZWAJNQRX-UHFFFAOYSA-N
Compound name
N-butyl-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

179.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.0
[M+Na]+ 202.12023 146.6
[M-H]- 178.12373 143.5
[M+NH4]+ 197.16483 160.1
[M+K]+ 218.09417 144.7
[M+H-H2O]+ 162.12827 133.8
[M+HCOO]- 224.12921 165.2
[M+CH3COO]- 238.14486 185.4
[M+Na-2H]- 200.10568 146.8
[M]+ 179.13046 141.7
[M]- 179.13156 141.7
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