CID 115011141

1-(dimethylamino)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C7H13NO
SMILES
CN(C)C1(CCC1)C=O
InChI
InChI=1S/C7H13NO/c1-8(2)7(6-9)4-3-5-7/h6H,3-5H2,1-2H3
InChIKey
ZUAGNLLZDYNRKP-UHFFFAOYSA-N
Compound name
1-(dimethylamino)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

127.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.7
[M+Na]+ 150.08894 132.2
[M-H]- 126.09244 131.8
[M+NH4]+ 145.13354 144.5
[M+K]+ 166.06288 135.9
[M+H-H2O]+ 110.09698 117.4
[M+HCOO]- 172.09792 150.3
[M+CH3COO]- 186.11357 180.6
[M+Na-2H]- 148.07439 133.4
[M]+ 127.09917 135.5
[M]- 127.10027 135.5
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