CID 18604758

Lm11a-31

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC[C@H](C)[C@@H](C(=O)NCCN1CCOCC1)N
InChI
InChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1
InChIKey
YNMUTYLWSRFTPX-QWRGUYRKSA-N
Compound name
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

74
Patents

243.19467 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 163.1
[M+Na]+ 266.18389 164.0
[M-H]- 242.18739 163.7
[M+NH4]+ 261.22849 176.4
[M+K]+ 282.15783 164.3
[M+H-H2O]+ 226.19193 154.9
[M+HCOO]- 288.19287 179.1
[M+CH3COO]- 302.20852 198.7
[M+Na-2H]- 264.16934 163.4
[M]+ 243.19412 158.5
[M]- 243.19522 158.5
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

patents stripe