CID 2759304

56323-03-6

Structural Information

Molecular Formula
C9H20N2O
SMILES
CN1CCN(CC1)CCCCO
InChI
InChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3
InChIKey
GSFOUKVQYFLTRA-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

172.15756 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.164836 142.6
[M+Na]+ 195.146778 147.4
[M-H]- 171.150284 140.9
[M+NH4]+ 190.191383 159.6
[M+K]+ 211.120718 145.6
[M+H-H2O]+ 155.154820 135.3
[M+HCOO]- 217.155761 158.9
[M+CH3COO]- 231.171411 178.3
[M+Na-2H]- 193.132226 146.5
[M]+ 172.15701142 139.2
[M]- 172.15810858 139.2
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