CID 15759

2-propylaniline

Structural Information

Molecular Formula
C9H13N
SMILES
CCCC1=CC=CC=C1N
InChI
InChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
InChIKey
WKURVXXDGMYSDP-UHFFFAOYSA-N
Compound name
2-propylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3404
Patents

135.1048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 127.9
[M+Na]+ 158.094018 135.5
[M-H]- 134.097524 131.3
[M+NH4]+ 153.138623 149.6
[M+K]+ 174.067958 133.2
[M+H-H2O]+ 118.102060 122.5
[M+HCOO]- 180.103001 153.0
[M+CH3COO]- 194.118651 176.6
[M+Na-2H]- 156.079466 134.8
[M]+ 135.10425142 126.5
[M]- 135.10534858 126.5
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