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]+ 136.11208 116.6
[M+Na]+ 158.09402 123.1
[M-H]- 134.09752 118.6
[M+NH4]+ 153.13862 124.6
[M+K]+ 174.06796 126.4
[M+H-H2O]+ 118.10206 99.6
[M+HCOO]- 180.10300 128.5
[M+CH3COO]- 194.11865 192.1
[M+Na-2H]- 156.07947 122.8
[M]+ 135.10425 123.5
[M]- 135.10535 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.