CID 487832

N-benzyl-3-methylbutan-1-amine

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)CCNCC1=CC=CC=C1
InChI
InChI=1S/C12H19N/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKey
ADSCFYDXGXZBAN-UHFFFAOYSA-N
Compound name
N-benzyl-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

177.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.4
[M+Na]+ 200.14097 147.4
[M-H]- 176.14447 145.4
[M+NH4]+ 195.18557 162.2
[M+K]+ 216.11491 145.2
[M+H-H2O]+ 160.14901 136.0
[M+HCOO]- 222.14995 166.0
[M+CH3COO]- 236.16560 186.1
[M+Na-2H]- 198.12642 148.0
[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