CID 10130987

2-(3-hydroxypropyl)cyclododecanone

Structural Information

Molecular Formula
C15H28O2
SMILES
C1CCCCCC(=O)C(CCCC1)CCCO
InChI
InChI=1S/C15H28O2/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14,16H,1-13H2
InChIKey
WPUUQDHXECKYPM-UHFFFAOYSA-N
Compound name
2-(3-hydroxypropyl)cyclododecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

240.20892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 159.2
[M+Na]+ 263.19814 160.6
[M-H]- 239.20164 157.5
[M+NH4]+ 258.24274 173.0
[M+K]+ 279.17208 158.8
[M+H-H2O]+ 223.20618 156.2
[M+HCOO]- 285.20712 173.8
[M+CH3COO]- 299.22277 184.4
[M+Na-2H]- 261.18359 158.6
[M]+ 240.20837 149.3
[M]- 240.20947 149.3
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

patents stripe