CID 253532

N-sec-butylaniline

Structural Information

Molecular Formula
C10H15N
SMILES
CCC(C)NC1=CC=CC=C1
InChI
InChI=1S/C10H15N/c1-3-9(2)11-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKey
LAMTXWQPHWUMLX-UHFFFAOYSA-N
Compound name
N-butan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

714
Patents

149.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 133.1
[M+Na]+ 172.109668 138.9
[M-H]- 148.113174 136.5
[M+NH4]+ 167.154273 154.0
[M+K]+ 188.083608 137.2
[M+H-H2O]+ 132.117710 127.1
[M+HCOO]- 194.118651 157.3
[M+CH3COO]- 208.134301 180.1
[M+Na-2H]- 170.095116 139.8
[M]+ 149.11990142 131.9
[M]- 149.12099858 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