CID 520943

2-methyl-n-propyl-1-propanamine

Structural Information

Molecular Formula
C7H17N
SMILES
CCCNCC(C)C
InChI
InChI=1S/C7H17N/c1-4-5-8-6-7(2)3/h7-8H,4-6H2,1-3H3
InChIKey
SQGSVBHTFQOZDL-UHFFFAOYSA-N
Compound name
2-methyl-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1128
Patents

115.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.14338 128.2
[M+Na]+ 138.12532 133.9
[M-H]- 114.12882 128.4
[M+NH4]+ 133.16992 150.8
[M+K]+ 154.09926 133.9
[M+H-H2O]+ 98.133360 123.4
[M+HCOO]- 160.13430 151.6
[M+CH3COO]- 174.14995 175.9
[M+Na-2H]- 136.11077 133.7
[M]+ 115.13555 128.4
[M]- 115.13665 128.4
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