CID 13550786

2-(but-3-en-1-yl)aniline

Structural Information

Molecular Formula
C10H13N
SMILES
C=CCCC1=CC=CC=C1N
InChI
InChI=1S/C10H13N/c1-2-3-6-9-7-4-5-8-10(9)11/h2,4-5,7-8H,1,3,6,11H2
InChIKey
BFGBXYMLWNNXIB-UHFFFAOYSA-N
Compound name
2-but-3-enylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

147.1048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 131.2
[M+Na]+ 170.09402 138.7
[M-H]- 146.09752 134.5
[M+NH4]+ 165.13862 152.4
[M+K]+ 186.06796 135.5
[M+H-H2O]+ 130.10206 125.6
[M+HCOO]- 192.10300 156.1
[M+CH3COO]- 206.11865 178.7
[M+Na-2H]- 168.07947 137.6
[M]+ 147.10425 129.5
[M]- 147.10535 129.5
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