CID 91654507

921602-81-5

Structural Information

Molecular Formula
C6H13N
SMILES
CCC[C@@H]1C[C@H]1N
InChI
InChI=1S/C6H13N/c1-2-3-5-4-6(5)7/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKey
XNPZNZSQFBQSTE-PHDIDXHHSA-N
Compound name
(1R,2R)-2-propylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 119.1
[M+Na]+ 122.09402 128.4
[M-H]- 98.097524 123.7
[M+NH4]+ 117.13862 137.4
[M+K]+ 138.06796 126.5
[M+H-H2O]+ 82.102060 113.7
[M+HCOO]- 144.10300 143.7
[M+CH3COO]- 158.11865 174.5
[M+Na-2H]- 120.07947 125.5
[M]+ 99.104251 120.2
[M]- 99.105349 120.2
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.