CID 5365340

Nsc 91499

Structural Information

Molecular Formula
C7H14O
SMILES
C/C=C(\C)/C(C)(C)O
InChI
InChI=1S/C7H14O/c1-5-6(2)7(3,4)8/h5,8H,1-4H3/b6-5+
InChIKey
PGCNLWGJQKSWAP-AATRIKPKSA-N
Compound name
(E)-2,3-dimethylpent-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

114.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 125.3
[M+Na]+ 137.09368 132.4
[M-H]- 113.09718 124.6
[M+NH4]+ 132.13828 147.7
[M+K]+ 153.06762 131.8
[M+H-H2O]+ 97.101720 122.0
[M+HCOO]- 159.10266 145.3
[M+CH3COO]- 173.11831 169.0
[M+Na-2H]- 135.07913 130.9
[M]+ 114.10391 124.6
[M]- 114.10501 124.6
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