CID 25227053

Isoleucyl-hydroxyproline

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC[C@H](C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)N
InChI
InChI=1S/C11H20N2O4/c1-3-6(2)9(12)10(15)13-5-7(14)4-8(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)/t6-,7+,8-,9-/m0/s1
InChIKey
IFZSZULHIWFRSB-KZVJFYERSA-N
Compound name
(2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.1423 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 158.1
[M+Na]+ 267.13152 161.9
[M-H]- 243.13502 156.8
[M+NH4]+ 262.17612 173.8
[M+K]+ 283.10546 161.0
[M+H-H2O]+ 227.13956 152.1
[M+HCOO]- 289.14050 173.1
[M+CH3COO]- 303.15615 192.2
[M+Na-2H]- 265.11697 153.3
[M]+ 244.14175 154.0
[M]- 244.14285 154.0
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

patents stripe