CID 171204

Lysylproline

Structural Information

Molecular Formula
C11H21N3O3
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N)C(=O)O
InChI
InChI=1S/C11H21N3O3/c12-6-2-1-4-8(13)10(15)14-7-3-5-9(14)11(16)17/h8-9H,1-7,12-13H2,(H,16,17)/t8-,9-/m0/s1
InChIKey
AIXUQKMMBQJZCU-IUCAKERBSA-N
Compound name
(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

5258
Patents

243.1583 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16558 158.9
[M+Na]+ 266.14752 161.6
[M-H]- 242.15102 157.9
[M+NH4]+ 261.19212 174.5
[M+K]+ 282.12146 160.2
[M+H-H2O]+ 226.15556 151.6
[M+HCOO]- 288.15650 176.6
[M+CH3COO]- 302.17215 194.8
[M+Na-2H]- 264.13297 155.7
[M]+ 243.15775 153.6
[M]- 243.15885 153.6
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