CID 130515614

1-cyclopropylbut-2-yn-1-ol

Structural Information

Molecular Formula
C7H10O
SMILES
CC#CC(C1CC1)O
InChI
InChI=1S/C7H10O/c1-2-3-7(8)6-4-5-6/h6-8H,4-5H2,1H3
InChIKey
ZIMITGVICCWLSP-UHFFFAOYSA-N
Compound name
1-cyclopropylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 118.4
[M+Na]+ 133.06238 133.2
[M-H]- 109.06589 122.7
[M+NH4]+ 128.10699 135.8
[M+K]+ 149.03632 127.6
[M+H-H2O]+ 93.070426 110.2
[M+HCOO]- 155.07137 136.8
[M+CH3COO]- 169.08702 179.7
[M+Na-2H]- 131.04783 125.4
[M]+ 110.07262 116.3
[M]- 110.07371 116.3
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

No patent data available for this compound.