CID 180775

25400-83-3

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)(C#CCN(C)C)O
InChI
InChI=1S/C8H15NO/c1-8(2,10)6-5-7-9(3)4/h10H,7H2,1-4H3
InChIKey
VBARYRPUABJYGW-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-methylpent-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

141.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 134.3
[M+Na]+ 164.10459 142.5
[M-H]- 140.10809 134.1
[M+NH4]+ 159.14919 153.6
[M+K]+ 180.07853 142.1
[M+H-H2O]+ 124.11263 124.0
[M+HCOO]- 186.11357 150.8
[M+CH3COO]- 200.12922 186.6
[M+Na-2H]- 162.09004 139.0
[M]+ 141.11482 129.6
[M]- 141.11592 129.6
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