CID 55285269

1268810-17-8

Structural Information

Molecular Formula
C5H7N
SMILES
C#CC1(CC1)N
InChI
InChI=1S/C5H7N/c1-2-5(6)3-4-5/h1H,3-4,6H2
InChIKey
WRNHEJNZGOVFTG-UHFFFAOYSA-N
Compound name
1-ethynylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

81.057846 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 116.4
[M+Na]+ 104.04706 128.2
[M+NH4]+ 99.091669 123.8
[M+K]+ 120.02100 120.0
[M-H]- 80.050570 117.1
[M+Na-2H]- 102.03251 123.3
[M]+ 81.057297 118.6
[M]- 81.058395 118.6
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