CID 83687

Boc-l-glutamine

Structural Information

Molecular Formula
C10H18N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
InChIKey
VVNYDCGZZSTUBC-LURJTMIESA-N
Compound name
(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2765
Patents

246.12157 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12885 155.9
[M+Na]+ 269.11079 159.6
[M-H]- 245.11429 154.0
[M+NH4]+ 264.15539 171.3
[M+K]+ 285.08473 160.4
[M+H-H2O]+ 229.11883 150.3
[M+HCOO]- 291.11977 174.6
[M+CH3COO]- 305.13542 195.6
[M+Na-2H]- 267.09624 155.9
[M]+ 246.12102 155.8
[M]- 246.12212 155.8
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