CID 13513

Propanal, 2-chloro-2-methyl-

Structural Information

Molecular Formula
C4H7ClO
SMILES
CC(C)(C=O)Cl
InChI
InChI=1S/C4H7ClO/c1-4(2,5)3-6/h3H,1-2H3
InChIKey
UJZCIPIWDBMTLY-UHFFFAOYSA-N
Compound name
2-chloro-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

189
Patents

106.01854 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 116.2
[M+Na]+ 129.00776 125.8
[M-H]- 105.01126 117.2
[M+NH4]+ 124.05236 140.4
[M+K]+ 144.98170 124.3
[M+H-H2O]+ 89.015800 113.9
[M+HCOO]- 151.01674 135.1
[M+CH3COO]- 165.03239 166.5
[M+Na-2H]- 126.99321 124.7
[M]+ 106.01799 118.8
[M]- 106.01909 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

literature stripe

Patent stripe

patents stripe