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

290
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 157.7
[M+Na]+ 253.16349 158.7
[M-H]- 229.16699 146.7
[M+NH4]+ 248.20809 163.7
[M+K]+ 269.13743 155.5
[M+H-H2O]+ 213.17153 151.8
[M+HCOO]- 275.17247 163.1
[M+CH3COO]- 289.18812 173.3
[M+Na-2H]- 251.14894 157.5
[M]+ 230.17372 141.6
[M]- 230.17482 141.6
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

No patent data available for this compound.