CID 29763

Nsc 105554

Structural Information

Molecular Formula
C16H32N2O
SMILES
CN(C)CCCN1CCC2(CCC(CC2)CO)CC1
InChI
InChI=1S/C16H32N2O/c1-17(2)10-3-11-18-12-8-16(9-13-18)6-4-15(14-19)5-7-16/h15,19H,3-14H2,1-2H3
InChIKey
VOFDCNGCPBSHPT-UHFFFAOYSA-N
Compound name
[3-[3-(dimethylamino)propyl]-3-azaspiro[5.5]undecan-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.25146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.25874 169.1
[M+Na]+ 291.24068 170.0
[M-H]- 267.24418 171.1
[M+NH4]+ 286.28528 185.8
[M+K]+ 307.21462 167.9
[M+H-H2O]+ 251.24872 161.1
[M+HCOO]- 313.24966 182.9
[M+CH3COO]- 327.26531 201.6
[M+Na-2H]- 289.22613 170.2
[M]+ 268.25091 162.2
[M]- 268.25201 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.