CID 112680

2-penten-4-ol, 4-methyl-

Structural Information

Molecular Formula
C6H12O
SMILES
CC=CC(C)(C)O
InChI
InChI=1S/C6H12O/c1-4-5-6(2,3)7/h4-5,7H,1-3H3
InChIKey
OWVUFBAJXKEVBE-UHFFFAOYSA-N
Compound name
2-methylpent-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

398
Patents

100.08881 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.9
[M+Na]+ 123.07803 128.6
[M-H]- 99.081534 120.2
[M+NH4]+ 118.12263 143.9
[M+K]+ 139.05197 127.8
[M+H-H2O]+ 83.086070 117.7
[M+HCOO]- 145.08701 142.1
[M+CH3COO]- 159.10266 165.1
[M+Na-2H]- 121.06348 128.2
[M]+ 100.08826 120.5
[M]- 100.08936 120.5
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