CID 214394

N,n-dimethyl-2-phenylheptan-1-amine

Structural Information

Molecular Formula
C15H25N
SMILES
CCCCCC(CN(C)C)C1=CC=CC=C1
InChI
InChI=1S/C15H25N/c1-4-5-7-12-15(13-16(2)3)14-10-8-6-9-11-14/h6,8-11,15H,4-5,7,12-13H2,1-3H3
InChIKey
SEOSUVAMLSHXJN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-phenylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1987 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.205976 156.5
[M+Na]+ 242.187918 160.4
[M-H]- 218.191424 160.4
[M+NH4]+ 237.232523 175.3
[M+K]+ 258.161858 158.8
[M+H-H2O]+ 202.195960 149.3
[M+HCOO]- 264.196901 179.6
[M+CH3COO]- 278.212551 198.8
[M+Na-2H]- 240.173366 159.7
[M]+ 219.19815142 158.5
[M]- 219.19924858 158.5
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

No patent data available for this compound.