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

2929
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

literature stripe

Patent stripe

patents stripe