CID 121207400

(1-ethynylcyclopropyl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H9N
SMILES
C#CC1(CC1)CN
InChI
InChI=1S/C6H9N/c1-2-6(5-7)3-4-6/h1H,3-5,7H2
InChIKey
CROAZNPWQOKDFF-UHFFFAOYSA-N
Compound name
(1-ethynylcyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

95.0735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 116.1
[M+Na]+ 118.062718 131.8
[M-H]- 94.066224 121.6
[M+NH4]+ 113.107323 135.8
[M+K]+ 134.036658 126.4
[M+H-H2O]+ 78.070760 108.8
[M+HCOO]- 140.071701 136.7
[M+CH3COO]- 154.087351 180.6
[M+Na-2H]- 116.048166 125.2
[M]+ 95.07295142 113.5
[M]- 95.07404858 113.5
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.