CID 66825403

1253643-88-7

Structural Information

Molecular Formula
C11H20N4O4
SMILES
CC1(N=N1)CCOC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C11H20N4O4/c1-11(14-15-11)5-7-19-10(18)13-6-3-2-4-8(12)9(16)17/h8H,2-7,12H2,1H3,(H,13,18)(H,16,17)/t8-/m0/s1
InChIKey
LUCMNTLJAFTFDU-QMMMGPOBSA-N
Compound name
(2S)-2-amino-6-[2-(3-methyldiazirin-3-yl)ethoxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

272.14847 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15575 165.6
[M+Na]+ 295.13769 172.2
[M-H]- 271.14119 165.5
[M+NH4]+ 290.18229 174.9
[M+K]+ 311.11163 169.4
[M+H-H2O]+ 255.14573 158.9
[M+HCOO]- 317.14667 185.3
[M+CH3COO]- 331.16232 202.1
[M+Na-2H]- 293.12314 168.5
[M]+ 272.14792 170.8
[M]- 272.14902 170.8
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

patents stripe