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]+ 136.11208 127.8
[M+Na]+ 158.09402 136.7
[M-H]- 134.09752 130.9
[M+NH4]+ 153.13862 145.5
[M+K]+ 174.06796 135.1
[M+H-H2O]+ 118.10206 114.2
[M+HCOO]- 180.10300 143.6
[M+CH3COO]- 194.11865 186.9
[M+Na-2H]- 156.07947 132.3
[M]+ 135.10425 127.1
[M]- 135.10535 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.