CID 173222

Dodecanoic acid, diethylenetriamine monoamide

Structural Information

Molecular Formula
C16H35N3O
SMILES
CCCCCCCCCCCC(=O)N(CCN)CCN
InChI
InChI=1S/C16H35N3O/c1-2-3-4-5-6-7-8-9-10-11-16(20)19(14-12-17)15-13-18/h2-15,17-18H2,1H3
InChIKey
CACWQNPWKQPNLQ-UHFFFAOYSA-N
Compound name
N,N-bis(2-aminoethyl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.28528 178.5
[M+Na]+ 308.26722 179.2
[M-H]- 284.27072 177.2
[M+NH4]+ 303.31182 193.4
[M+K]+ 324.24116 177.4
[M+H-H2O]+ 268.27526 170.4
[M+HCOO]- 330.27620 200.6
[M+CH3COO]- 344.29185 215.6
[M+Na-2H]- 306.25267 176.7
[M]+ 285.27745 180.2
[M]- 285.27855 180.2
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