CID 111255

Ethanol, 2-((1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)oxy)-, exo-

Structural Information

Molecular Formula
C12H22O2
SMILES
C[C@]12CC[C@H](C1(C)C)C[C@@H]2OCCO
InChI
InChI=1S/C12H22O2/c1-11(2)9-4-5-12(11,3)10(8-9)14-7-6-13/h9-10,13H,4-8H2,1-3H3/t9-,10-,12+/m0/s1
InChIKey
IWWCSDGEIDYEJV-JBLDHEPKSA-N
Compound name
2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

145
Patents

198.16199 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.169266 147.7
[M+Na]+ 221.151208 155.8
[M-H]- 197.154714 149.4
[M+NH4]+ 216.195813 175.9
[M+K]+ 237.125148 153.0
[M+H-H2O]+ 181.159250 145.2
[M+HCOO]- 243.160191 166.8
[M+CH3COO]- 257.175841 183.5
[M+Na-2H]- 219.136656 151.4
[M]+ 198.16144142 149.0
[M]- 198.16253858 149.0
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

patents stripe