CID 487836

N-(2-methylbenzyl)butan-1-amine

Structural Information

Molecular Formula
C12H19N
SMILES
CCCCNCC1=CC=CC=C1C
InChI
InChI=1S/C12H19N/c1-3-4-9-13-10-12-8-6-5-7-11(12)2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKey
MACCIKTTYKTPKG-UHFFFAOYSA-N
Compound name
N-[(2-methylphenyl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

177.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 141.3
[M+Na]+ 200.14097 147.5
[M-H]- 176.14447 144.6
[M+NH4]+ 195.18557 161.5
[M+K]+ 216.11491 144.9
[M+H-H2O]+ 160.14901 135.1
[M+HCOO]- 222.14995 165.9
[M+CH3COO]- 236.16560 186.4
[M+Na-2H]- 198.12642 147.6
[M]+ 177.15120 142.0
[M]- 177.15230 142.0
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