CID 19105860

N-methyl-3-propylaniline

Structural Information

Molecular Formula
C10H15N
SMILES
CCCC1=CC(=CC=C1)NC
InChI
InChI=1S/C10H15N/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-8,11H,3,5H2,1-2H3
InChIKey
XACPPCKWISRXFT-UHFFFAOYSA-N
Compound name
N-methyl-3-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

149.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.0
[M+Na]+ 172.10967 139.1
[M-H]- 148.11317 135.7
[M+NH4]+ 167.15427 153.4
[M+K]+ 188.08361 137.0
[M+H-H2O]+ 132.11771 126.3
[M+HCOO]- 194.11865 157.3
[M+CH3COO]- 208.13430 180.3
[M+Na-2H]- 170.09512 139.4
[M]+ 149.11990 131.9
[M]- 149.12100 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

No literature data available for this compound.

Patent stripe

patents stripe