CID 451923

C-6-cl-ddg

Structural Information

Molecular Formula
C11H14ClN5O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=NC3=C2N=C(N=C3Cl)N
InChI
InChI=1S/C11H14ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h5-7,18H,1-4H2,(H2,13,15,16)/t6-,7+/m1/s1
InChIKey
DOKOPGLGDNHBAS-RQJHMYQMSA-N
Compound name
[(1R,3S)-3-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

267.08868 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09596 159.0
[M+Na]+ 290.07790 169.9
[M-H]- 266.08140 160.7
[M+NH4]+ 285.12250 174.8
[M+K]+ 306.05184 164.1
[M+H-H2O]+ 250.08594 150.3
[M+HCOO]- 312.08688 173.3
[M+CH3COO]- 326.10253 170.2
[M+Na-2H]- 288.06335 160.4
[M]+ 267.08813 159.5
[M]- 267.08923 159.5
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