CID 20055539

Sesquisabinene hydrate

Structural Information

Molecular Formula
C15H26O
SMILES
CC(CCC=C(C)C)C12CCC(C1C2)(C)O
InChI
InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3
InChIKey
IRDFGGRWKUKANK-UHFFFAOYSA-N
Compound name
2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.8
[M+Na]+ 245.18758 162.5
[M-H]- 221.19108 158.3
[M+NH4]+ 240.23218 174.4
[M+K]+ 261.16152 159.4
[M+H-H2O]+ 205.19562 151.8
[M+HCOO]- 267.19656 171.2
[M+CH3COO]- 281.21221 193.1
[M+Na-2H]- 243.17303 156.6
[M]+ 222.19781 157.3
[M]- 222.19891 157.3
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