CID 15774971

2-(1,4,7,10-tetraazacyclododecan-1-yl)acetic acid trihydrochloride

Structural Information

Molecular Formula
C10H22N4O2
SMILES
C1CNCCN(CCNCCN1)CC(=O)O
InChI
InChI=1S/C10H22N4O2/c15-10(16)9-14-7-5-12-3-1-11-2-4-13-6-8-14/h11-13H,1-9H2,(H,15,16)
InChIKey
XDLOGHYCUQYEKA-UHFFFAOYSA-N
Compound name
2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

230.17427 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18155 154.8
[M+Na]+ 253.16349 160.6
[M+NH4]+ 248.20809 157.6
[M+K]+ 269.13743 157.6
[M-H]- 229.16699 151.3
[M+Na-2H]- 251.14894 155.7
[M]+ 230.17372 153.5
[M]- 230.17482 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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