CID 130772823

1856854-20-0

Structural Information

Molecular Formula
C12H19N
SMILES
C#CCCN1CCCC2(C1)CCC2
InChI
InChI=1S/C12H19N/c1-2-3-9-13-10-5-8-12(11-13)6-4-7-12/h1H,3-11H2
InChIKey
IZINQRCHETWQHF-UHFFFAOYSA-N
Compound name
6-but-3-ynyl-6-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 133.0
[M+Na]+ 200.14097 139.7
[M-H]- 176.14447 135.0
[M+NH4]+ 195.18557 146.1
[M+K]+ 216.11491 138.4
[M+H-H2O]+ 160.14901 117.3
[M+HCOO]- 222.14995 144.9
[M+CH3COO]- 236.16560 191.8
[M+Na-2H]- 198.12642 138.0
[M]+ 177.15120 131.3
[M]- 177.15230 131.3
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.