CID 137103

Structural Information

Molecular Formula
C4H9
SMILES
C[C](C)C
InChI
InChI=1S/C4H9/c1-4(2)3/h1-3H3
InChIKey
IIVWHGMLFGNMOW-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

57.070427 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 58.077703 108.9
[M+Na]+ 80.059645 116.7
[M-H]- 56.063151 109.8
[M+NH4]+ 75.104250 134.2
[M+K]+ 96.033585 117.8
[M+H-H2O]+ 40.067687 105.4
[M+HCOO]- 102.06863 132.4
[M+CH3COO]- 116.08428 162.2
[M+Na-2H]- 78.045093 116.1
[M]+ 57.069878 108.8
[M]- 57.070976 108.8
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