CID 167723690

6-ethynylbicyclo[3.2.0]heptan-6-amine hydrochloride

Structural Information

Molecular Formula
C9H13N
SMILES
C#CC1(CC2C1CCC2)N
InChI
InChI=1S/C9H13N/c1-2-9(10)6-7-4-3-5-8(7)9/h1,7-8H,3-6,10H2
InChIKey
ZDWSGMQXGZWEMH-UHFFFAOYSA-N
Compound name
6-ethynylbicyclo[3.2.0]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 127.8
[M+Na]+ 158.094018 136.7
[M-H]- 134.097524 130.9
[M+NH4]+ 153.138623 145.5
[M+K]+ 174.067958 135.1
[M+H-H2O]+ 118.102060 114.2
[M+HCOO]- 180.103001 143.6
[M+CH3COO]- 194.118651 186.9
[M+Na-2H]- 156.079466 132.3
[M]+ 135.10425142 127.1
[M]- 135.10534858 127.1
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.