CID 12397185

(prop-2-en-1-yl)(propyl)amine

Structural Information

Molecular Formula
C6H13N
SMILES
CCCNCC=C
InChI
InChI=1S/C6H13N/c1-3-5-7-6-4-2/h3,7H,1,4-6H2,2H3
InChIKey
HUEPADWXXGLLSW-UHFFFAOYSA-N
Compound name
N-prop-2-enylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2955
Patents

99.1048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 121.3
[M+Na]+ 122.09402 127.9
[M-H]- 98.097524 121.5
[M+NH4]+ 117.13862 144.4
[M+K]+ 138.06796 127.2
[M+H-H2O]+ 82.102060 116.7
[M+HCOO]- 144.10300 146.2
[M+CH3COO]- 158.11865 171.1
[M+Na-2H]- 120.07947 128.7
[M]+ 99.104251 121.0
[M]- 99.105349 121.0
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.