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

8
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 135.3
[M+Na]+ 178.120228 140.9
[M-H]- 154.123734 139.7
[M+NH4]+ 173.164833 160.2
[M+K]+ 194.094168 141.1
[M+H-H2O]+ 138.128270 130.2
[M+HCOO]- 200.129211 159.5
[M+CH3COO]- 214.144861 181.2
[M+Na-2H]- 176.105676 139.9
[M]+ 155.13046142 134.4
[M]- 155.13155858 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