CID 199539

2-cyclopropylbut-3-yn-2-ol

Structural Information

Molecular Formula
C7H10O
SMILES
CC(C#C)(C1CC1)O
InChI
InChI=1S/C7H10O/c1-3-7(2,8)6-4-5-6/h1,6,8H,4-5H2,2H3
InChIKey
TXBLNDNWPNEHKV-UHFFFAOYSA-N
Compound name
2-cyclopropylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

110.073166 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 120.7
[M+Na]+ 133.06238 135.9
[M-H]- 109.06589 125.3
[M+NH4]+ 128.10699 138.1
[M+K]+ 149.03632 130.5
[M+H-H2O]+ 93.070426 113.0
[M+HCOO]- 155.07137 138.5
[M+CH3COO]- 169.08702 179.8
[M+Na-2H]- 131.04783 129.0
[M]+ 110.07262 118.8
[M]- 110.07371 118.8
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