CID 82652

2,3-dimethyl-3-buten-2-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CC(=C)C(C)(C)O
InChI
InChI=1S/C6H12O/c1-5(2)6(3,4)7/h7H,1H2,2-4H3
InChIKey
AWDLBZUXUNIODN-UHFFFAOYSA-N
Compound name
2,3-dimethylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

567
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.4
[M+Na]+ 123.07803 127.8
[M-H]- 99.081534 119.8
[M+NH4]+ 118.12263 143.3
[M+K]+ 139.05197 127.4
[M+H-H2O]+ 83.086070 117.3
[M+HCOO]- 145.08701 140.7
[M+CH3COO]- 159.10266 166.6
[M+Na-2H]- 121.06348 126.5
[M]+ 100.08826 119.4
[M]- 100.08936 119.4
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