CID 12153

N-propylaniline

Structural Information

Molecular Formula
C9H13N
SMILES
CCCNC1=CC=CC=C1
InChI
InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey
CDZOGLJOFWFVOZ-UHFFFAOYSA-N
Compound name
N-propylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

7797
Patents

135.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 127.7
[M+Na]+ 158.09402 134.2
[M-H]- 134.09752 131.2
[M+NH4]+ 153.13862 149.3
[M+K]+ 174.06796 132.4
[M+H-H2O]+ 118.10206 121.9
[M+HCOO]- 180.10300 153.3
[M+CH3COO]- 194.11865 176.2
[M+Na-2H]- 156.07947 136.3
[M]+ 135.10425 126.9
[M]- 135.10535 126.9
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