CID 11660330

876345-13-0

Structural Information

Molecular Formula
C15H29NO8
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C15H29NO8/c1-15(2,3)24-14(19)16-4-5-20-6-7-21-8-9-22-10-11-23-12-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
SHMYENBXRNPSOG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

351.18933 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19661 181.6
[M+Na]+ 374.17855 183.7
[M-H]- 350.18205 179.0
[M+NH4]+ 369.22315 196.4
[M+K]+ 390.15249 185.0
[M+H-H2O]+ 334.18659 174.6
[M+HCOO]- 396.18753 204.2
[M+CH3COO]- 410.20318 211.1
[M+Na-2H]- 372.16400 183.2
[M]+ 351.18878 191.7
[M]- 351.18988 191.7
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