CID 10130510

Fe-999011

Structural Information

Molecular Formula
C11H19N3O
SMILES
CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C#N)N
InChI
InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14-6-4-5-8(14)7-12/h8-9H,4-6,13H2,1-3H3/t8-,9+/m0/s1
InChIKey
XGNBIYXILDDDQR-DTWKUNHWSA-N
Compound name
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

167
Patents

209.15282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.16010 153.3
[M+Na]+ 232.14204 159.9
[M-H]- 208.14554 154.3
[M+NH4]+ 227.18664 170.0
[M+K]+ 248.11598 158.3
[M+H-H2O]+ 192.15008 140.3
[M+HCOO]- 254.15102 167.7
[M+CH3COO]- 268.16667 200.7
[M+Na-2H]- 230.12749 153.1
[M]+ 209.15227 144.7
[M]- 209.15337 144.7
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