CID 12610330

39943-37-8

Structural Information

Molecular Formula
C9H17NO
SMILES
CN(C)CC1(CCCC1)C=O
InChI
InChI=1S/C9H17NO/c1-10(2)7-9(8-11)5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKey
NEHVBXDPRDUMRT-UHFFFAOYSA-N
Compound name
1-[(dimethylamino)methyl]cyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.3
[M+Na]+ 178.12023 140.9
[M-H]- 154.12373 139.7
[M+NH4]+ 173.16483 160.2
[M+K]+ 194.09417 141.1
[M+H-H2O]+ 138.12827 130.2
[M+HCOO]- 200.12921 159.5
[M+CH3COO]- 214.14486 181.2
[M+Na-2H]- 176.10568 139.9
[M]+ 155.13046 134.4
[M]- 155.13156 134.4
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