CID 94340735

1-[(3r)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol

Structural Information

Molecular Formula
C8H18N2O
SMILES
CC(C)(CN1CC[C@H](C1)N)O
InChI
InChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKey
VDMURYIBJNVHLD-SSDOTTSWSA-N
Compound name
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

158.1419 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 137.8
[M+Na]+ 181.13112 143.4
[M-H]- 157.13462 137.8
[M+NH4]+ 176.17572 158.0
[M+K]+ 197.10506 142.0
[M+H-H2O]+ 141.13916 132.2
[M+HCOO]- 203.14010 156.6
[M+CH3COO]- 217.15575 176.8
[M+Na-2H]- 179.11657 141.0
[M]+ 158.14135 133.2
[M]- 158.14245 133.2
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