CID 13104

2-dodecyl-2-azaspiro(4.5)decane hydrochloride

Structural Information

Molecular Formula
C21H41N
SMILES
CCCCCCCCCCCCN1CCC2(C1)CCCCC2
InChI
InChI=1S/C21H41N/c1-2-3-4-5-6-7-8-9-10-14-18-22-19-17-21(20-22)15-12-11-13-16-21/h2-20H2,1H3
InChIKey
TUYJSZOUGZRFPN-UHFFFAOYSA-N
Compound name
2-dodecyl-2-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.3239 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.33118 185.9
[M+Na]+ 330.31312 185.7
[M-H]- 306.31662 186.7
[M+NH4]+ 325.35772 202.9
[M+K]+ 346.28706 181.2
[M+H-H2O]+ 290.32116 177.1
[M+HCOO]- 352.32210 199.9
[M+CH3COO]- 366.33775 207.3
[M+Na-2H]- 328.29857 183.8
[M]+ 307.32335 182.3
[M]- 307.32445 182.3
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.