CID 177798232

6-(prop-2-yn-1-yl)-2-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C9H13N
SMILES
C#CCC1CC2(C1)CNC2
InChI
InChI=1S/C9H13N/c1-2-3-8-4-9(5-8)6-10-7-9/h1,8,10H,3-7H2
InChIKey
XFPACAGWZATOLU-UHFFFAOYSA-N
Compound name
6-prop-2-ynyl-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 116.6
[M+Na]+ 158.094018 123.1
[M-H]- 134.097524 118.6
[M+NH4]+ 153.138623 124.6
[M+K]+ 174.067958 126.4
[M+H-H2O]+ 118.102060 99.6
[M+HCOO]- 180.103001 128.5
[M+CH3COO]- 194.118651 192.1
[M+Na-2H]- 156.079466 122.8
[M]+ 135.10425142 123.5
[M]- 135.10534858 123.5
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.