CID 118672

11-dodecen-2-ol, 2-methyl-

Structural Information

Molecular Formula
C13H26O
SMILES
CC(C)(CCCCCCCCC=C)O
InChI
InChI=1S/C13H26O/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4,14H,1,5-12H2,2-3H3
InChIKey
XMZZQSLRRDAHIW-UHFFFAOYSA-N
Compound name
2-methyldodec-11-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20564 153.1
[M+Na]+ 221.18758 157.8
[M-H]- 197.19108 151.1
[M+NH4]+ 216.23218 172.1
[M+K]+ 237.16152 155.1
[M+H-H2O]+ 181.19562 148.4
[M+HCOO]- 243.19656 172.0
[M+CH3COO]- 257.21221 187.2
[M+Na-2H]- 219.17303 156.6
[M]+ 198.19781 155.5
[M]- 198.19891 155.5
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